Mol:FL7AADGL0025
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 65 71 0 0 0 0 0 0 0 0999 V2000 | + | 65 71 0 0 0 0 0 0 0 0999 V2000 |
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| − | -3.0850 1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0850 1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3988 2.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3988 2.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.4547 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4547 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4561 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4561 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1083 -2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1083 -2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7772 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7772 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4502 -2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4502 -2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7981 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7981 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1291 -1.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1291 -1.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7261 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7261 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4051 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4051 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0573 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0573 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7263 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7263 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3992 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3992 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7471 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7471 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0781 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0781 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 0.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 0.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5606 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5606 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4701 0.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4701 0.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0177 -0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0177 -0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5812 -0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5812 -0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.7030 -1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7030 -1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.3410 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3410 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8272 -0.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8272 -0.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4336 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4336 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7020 -1.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7020 -1.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6097 -1.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6097 -1.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4050 -1.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4050 -1.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1550 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1550 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6275 -3.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6275 -3.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3562 -2.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3562 -2.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9588 -3.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9588 -3.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2070 -3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2070 -3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2097 -2.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2097 -2.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0428 -2.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0428 -2.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4594 -3.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4594 -3.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0428 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0428 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2096 -4.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2096 -4.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2917 -3.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2917 -3.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0415 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0415 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7981 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7981 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9782 3.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9782 3.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5507 4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5507 4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 8 1 0 0 0 0 | + | 20 8 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 1 0 0 0 | + | 29 30 1 1 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 32 31 1 1 0 0 0 | + | 32 31 1 1 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 28 1 0 0 0 0 | + | 33 28 1 0 0 0 0 |
| − | 28 34 1 0 0 0 0 | + | 28 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 25 38 1 0 0 0 0 | + | 25 38 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
| − | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
| − | 24 41 1 0 0 0 0 | + | 24 41 1 0 0 0 0 |
| − | 29 20 1 0 0 0 0 | + | 29 20 1 0 0 0 0 |
| − | 42 43 1 1 0 0 0 | + | 42 43 1 1 0 0 0 |
| − | 43 44 1 1 0 0 0 | + | 43 44 1 1 0 0 0 |
| − | 45 44 1 1 0 0 0 | + | 45 44 1 1 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 47 42 1 0 0 0 0 | + | 47 42 1 0 0 0 0 |
| − | 42 48 1 0 0 0 0 | + | 42 48 1 0 0 0 0 |
| − | 43 49 1 0 0 0 0 | + | 43 49 1 0 0 0 0 |
| − | 44 50 1 0 0 0 0 | + | 44 50 1 0 0 0 0 |
| − | 45 19 1 0 0 0 0 | + | 45 19 1 0 0 0 0 |
| − | 51 52 2 0 0 0 0 | + | 51 52 2 0 0 0 0 |
| − | 51 53 1 0 0 0 0 | + | 51 53 1 0 0 0 0 |
| − | 53 54 2 0 0 0 0 | + | 53 54 2 0 0 0 0 |
| − | 54 55 1 0 0 0 0 | + | 54 55 1 0 0 0 0 |
| − | 55 56 2 0 0 0 0 | + | 55 56 2 0 0 0 0 |
| − | 56 57 1 0 0 0 0 | + | 56 57 1 0 0 0 0 |
| − | 57 58 2 0 0 0 0 | + | 57 58 2 0 0 0 0 |
| − | 58 59 1 0 0 0 0 | + | 58 59 1 0 0 0 0 |
| − | 59 60 2 0 0 0 0 | + | 59 60 2 0 0 0 0 |
| − | 60 55 1 0 0 0 0 | + | 60 55 1 0 0 0 0 |
| − | 58 61 1 0 0 0 0 | + | 58 61 1 0 0 0 0 |
| − | 39 51 1 0 0 0 0 | + | 39 51 1 0 0 0 0 |
| − | 62 63 1 0 0 0 0 | + | 62 63 1 0 0 0 0 |
| − | 47 62 1 0 0 0 0 | + | 47 62 1 0 0 0 0 |
| − | 64 65 1 0 0 0 0 | + | 64 65 1 0 0 0 0 |
| − | 15 64 1 0 0 0 0 | + | 15 64 1 0 0 0 0 |
| − | M CHG 1 10 1 | + | M CHG 1 10 1 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 62 63 | + | M SAL 1 2 62 63 |
| − | M SBL 1 1 69 | + | M SBL 1 1 69 |
| − | M SMT 1 ^ CH2OH | + | M SMT 1 ^ CH2OH |
| − | M SBV 1 69 0.6079 -0.5986 | + | M SBV 1 69 0.6079 -0.5986 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 64 65 | + | M SAL 2 2 64 65 |
| − | M SBL 2 1 71 | + | M SBL 2 1 71 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 71 0.0000 -0.5330 | + | M SBV 2 71 0.0000 -0.5330 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL7AADGL0025 | + | ID FL7AADGL0025 |
| − | FORMULA C43H49O22 | + | FORMULA C43H49O22 |
| − | EXACTMASS 917.271548252 | + | EXACTMASS 917.271548252 |
| − | AVERAGEMASS 917.83596 | + | AVERAGEMASS 917.83596 |
| − | SMILES O(C1COC(C(O)6)OC(C(OC(=O)C=Cc(c7)ccc(O)c7)C6O)C)C(Oc(c(c(c5)cc(c(c5)O)OC)3)cc(c2OC(O4)C(C(O)C(O)C4CO)O)c([o+1]3)cc(c2)O)C(O)C(O)C(O)1 | + | SMILES O(C1COC(C(O)6)OC(C(OC(=O)C=Cc(c7)ccc(O)c7)C6O)C)C(Oc(c(c(c5)cc(c(c5)O)OC)3)cc(c2OC(O4)C(C(O)C(O)C4CO)O)c([o+1]3)cc(c2)O)C(O)C(O)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
65 71 0 0 0 0 0 0 0 0999 V2000
-2.3639 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3638 0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6425 -0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9210 0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9210 0.9702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6424 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1996 -0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5218 0.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5219 0.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1996 1.3867 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.2430 1.3865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7135 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7135 2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9782 2.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2430 2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0850 1.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3988 2.6312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6424 -1.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4547 -0.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4561 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1083 -2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7772 -1.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4502 -2.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7981 -1.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1291 -1.7688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7261 -1.6390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4051 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0573 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7263 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3992 -0.4460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7471 0.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -0.0347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5606 0.6159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4701 0.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0177 -0.2411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5812 -0.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5533 -2.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5167 -2.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4502 -2.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1846 -1.1009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7030 -1.7361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0098 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3410 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8272 -0.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4336 -1.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7020 -1.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6097 -1.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4050 -1.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1550 -2.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6275 -3.6157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3562 -2.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9588 -3.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2070 -3.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2097 -2.9251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0428 -2.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4594 -3.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0428 -4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2096 -4.3528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2917 -3.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0415 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7981 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9782 3.1931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 4.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 1 0 0 0
30 31 1 1 0 0 0
32 31 1 1 0 0 0
32 33 1 0 0 0 0
33 28 1 0 0 0 0
28 34 1 0 0 0 0
33 35 1 0 0 0 0
32 36 1 0 0 0 0
31 37 1 0 0 0 0
25 38 1 0 0 0 0
37 38 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 41 1 0 0 0 0
29 20 1 0 0 0 0
42 43 1 1 0 0 0
43 44 1 1 0 0 0
45 44 1 1 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 42 1 0 0 0 0
42 48 1 0 0 0 0
43 49 1 0 0 0 0
44 50 1 0 0 0 0
45 19 1 0 0 0 0
51 52 2 0 0 0 0
51 53 1 0 0 0 0
53 54 2 0 0 0 0
54 55 1 0 0 0 0
55 56 2 0 0 0 0
56 57 1 0 0 0 0
57 58 2 0 0 0 0
58 59 1 0 0 0 0
59 60 2 0 0 0 0
60 55 1 0 0 0 0
58 61 1 0 0 0 0
39 51 1 0 0 0 0
62 63 1 0 0 0 0
47 62 1 0 0 0 0
64 65 1 0 0 0 0
15 64 1 0 0 0 0
M CHG 1 10 1
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 62 63
M SBL 1 1 69
M SMT 1 ^ CH2OH
M SBV 1 69 0.6079 -0.5986
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 64 65
M SBL 2 1 71
M SMT 2 OCH3
M SBV 2 71 0.0000 -0.5330
S SKP 5
ID FL7AADGL0025
FORMULA C43H49O22
EXACTMASS 917.271548252
AVERAGEMASS 917.83596
SMILES O(C1COC(C(O)6)OC(C(OC(=O)C=Cc(c7)ccc(O)c7)C6O)C)C(Oc(c(c(c5)cc(c(c5)O)OC)3)cc(c2OC(O4)C(C(O)C(O)C4CO)O)c([o+1]3)cc(c2)O)C(O)C(O)C(O)1
M END
