Mol:FL5FFCGL0013
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 47 51 0 0 0 0 0 0 0 0999 V2000 | + | 47 51 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4430 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4430 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4430 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4430 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7285 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7285 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0139 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0139 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7285 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7285 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7006 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7006 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4151 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4151 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4151 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4151 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7006 0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7006 0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7006 -1.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7006 -1.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0432 0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0432 0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7715 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7715 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7715 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7715 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0432 1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0432 1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7285 -1.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7285 -1.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3902 1.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3902 1.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1301 0.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1301 0.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9854 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9854 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2835 -1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2835 -1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6143 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6143 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3639 -1.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3639 -1.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9050 -2.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9050 -2.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5743 -1.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5743 -1.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8247 -1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8247 -1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5659 -0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5659 -0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4658 -1.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4658 -1.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9484 -2.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9484 -2.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3885 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3885 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2902 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2902 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5622 0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5622 0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9850 0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9850 0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1611 1.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1611 1.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8398 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8398 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9484 1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9484 1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.8717 1.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.8717 1.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3028 0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3028 0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0579 2.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0579 2.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6249 3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6249 3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7205 1.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7205 1.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1597 2.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1597 2.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7516 -2.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7516 -2.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0857 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0857 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9358 2.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9358 2.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2936 3.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2936 3.1910 0.0000 O 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 |
| − | 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 23 21 1 0 0 0 0 | + | 23 21 1 0 0 0 0 |
| − | 31 32 1 1 0 0 0 | + | 31 32 1 1 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 34 33 1 1 0 0 0 | + | 34 33 1 1 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
| − | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
| − | 32 38 1 0 0 0 0 | + | 32 38 1 0 0 0 0 |
| − | 33 39 1 0 0 0 0 | + | 33 39 1 0 0 0 0 |
| − | 34 20 1 0 0 0 0 | + | 34 20 1 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 16 40 1 0 0 0 0 | + | 16 40 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 6 42 1 0 0 0 0 | + | 6 42 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 25 44 1 0 0 0 0 | + | 25 44 1 0 0 0 0 |
| − | 46 47 1 0 0 0 0 | + | 46 47 1 0 0 0 0 |
| − | 36 46 1 0 0 0 0 | + | 36 46 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
| − | M SBL 1 1 45 | + | M SBL 1 1 45 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 45 -0.0148 -0.6767 | + | M SBV 1 45 -0.0148 -0.6767 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 42 43 | + | M SAL 2 2 42 43 |
| − | M SBL 2 1 47 | + | M SBL 2 1 47 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 47 -0.0080 -0.6727 | + | M SBV 2 47 -0.0080 -0.6727 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 44 45 | + | M SAL 3 2 44 45 |
| − | M SBL 3 1 49 | + | M SBL 3 1 49 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SBV 3 49 -0.8466 0.4259 | + | M SBV 3 49 -0.8466 0.4259 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 46 47 | + | M SAL 4 2 46 47 |
| − | M SBL 4 1 51 | + | M SBL 4 1 51 |
| − | M SMT 4 ^ CH2OH | + | M SMT 4 ^ CH2OH |
| − | M SBV 4 51 0.0961 -0.7617 | + | M SBV 4 51 0.0961 -0.7617 |
| − | S SKP 5 | + | S SKP 5 |
| − | ID FL5FFCGL0013 | + | ID FL5FFCGL0013 |
| − | FORMULA C29H34O18 | + | FORMULA C29H34O18 |
| − | EXACTMASS 670.174514284 | + | EXACTMASS 670.174514284 |
| − | AVERAGEMASS 670.5694599999999 | + | AVERAGEMASS 670.5694599999999 |
| − | SMILES c(C(=C(OC(C(O)5)OC(C(O)C(O)5)CO)4)Oc(c2C4=O)c(c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)OC)(c1)ccc(O)c(OC)1 | + | SMILES c(C(=C(OC(C(O)5)OC(C(O)C(O)5)CO)4)Oc(c2C4=O)c(c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)OC)(c1)ccc(O)c(OC)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
47 51 0 0 0 0 0 0 0 0999 V2000
-1.4430 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4430 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0139 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 0.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7006 -1.0768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4151 0.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7006 0.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7006 -1.7201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0432 0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7715 0.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7715 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0432 1.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.5730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 -1.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3902 1.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1301 0.6522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9854 -1.2346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2835 -1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6143 -1.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3639 -1.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9050 -2.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5743 -1.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8247 -1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5659 -0.9745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4658 -1.4721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9484 -2.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3885 1.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2902 1.0706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5622 0.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9850 0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1611 1.2911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8398 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9484 1.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8717 1.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3028 0.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0579 2.6702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6249 3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7205 1.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1597 2.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7516 -2.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0857 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9358 2.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2936 3.1910 0.0000 O 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
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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
19 15 1 0 0 0 0
4 3 1 0 0 0 0
1 20 1 0 0 0 0
21 8 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
27 29 1 0 0 0 0
26 30 1 0 0 0 0
23 21 1 0 0 0 0
31 32 1 1 0 0 0
32 33 1 1 0 0 0
34 33 1 1 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
34 20 1 0 0 0 0
40 41 1 0 0 0 0
16 40 1 0 0 0 0
42 43 1 0 0 0 0
6 42 1 0 0 0 0
44 45 1 0 0 0 0
25 44 1 0 0 0 0
46 47 1 0 0 0 0
36 46 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 40 41
M SBL 1 1 45
M SMT 1 OCH3
M SBV 1 45 -0.0148 -0.6767
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 42 43
M SBL 2 1 47
M SMT 2 OCH3
M SBV 2 47 -0.0080 -0.6727
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 44 45
M SBL 3 1 49
M SMT 3 CH2OH
M SBV 3 49 -0.8466 0.4259
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 46 47
M SBL 4 1 51
M SMT 4 ^ CH2OH
M SBV 4 51 0.0961 -0.7617
S SKP 5
ID FL5FFCGL0013
FORMULA C29H34O18
EXACTMASS 670.174514284
AVERAGEMASS 670.5694599999999
SMILES c(C(=C(OC(C(O)5)OC(C(O)C(O)5)CO)4)Oc(c2C4=O)c(c(OC(C(O)3)OC(CO)C(C3O)O)cc2O)OC)(c1)ccc(O)c(OC)1
M END
