Mol:FL1CA9NF0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5507 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5507 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5507 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5507 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8362 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8362 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1217 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1217 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1217 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1217 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8362 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8362 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5928 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5928 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5928 -0.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5928 -0.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3072 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3072 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0217 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0217 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7362 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7362 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4506 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4506 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1651 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1651 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1651 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1651 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4506 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4506 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7362 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7362 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8362 -0.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8362 -0.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5463 2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5463 2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1266 1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1266 1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3353 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3353 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8202 1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8202 1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3353 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3353 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6048 1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6048 1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6048 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6048 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8202 -0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8202 -0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1651 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1651 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6048 -0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6048 -0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4709 -0.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4709 -0.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4709 -2.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4709 -2.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8834 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8834 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7084 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7084 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2563 1.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2563 1.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0575 0.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0575 0.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 5 18 1 0 0 0 0 | + | 5 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 22 1 0 0 0 0 | + | 25 22 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 25 28 1 1 0 0 0 | + | 25 28 1 1 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 21 32 1 1 0 0 0 | + | 21 32 1 1 0 0 0 |
| − | 22 33 1 1 0 0 0 | + | 22 33 1 1 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NF0004 | + | ID FL1CA9NF0004 |
| − | KNApSAcK_ID C00014446 | + | KNApSAcK_ID C00014446 |
| − | NAME (+)-Tephropurpurin;[(+)-5'',5''-dimethyl-4''alpha-acacetoxytetrahydrofurano(2'',3''-b)-dihydrofurano(4',5'-h)-2'-methoxy-6'-hydroxychalcone] | + | NAME (+)-Tephropurpurin;[(+)-5'',5''-dimethyl-4''alpha-acacetoxytetrahydrofurano(2'',3''-b)-dihydrofurano(4',5'-h)-2'-methoxy-6'-hydroxychalcone] |
| − | CAS_RN 195609-89-3 | + | CAS_RN 195609-89-3 |
| − | FORMULA C24H24O7 | + | FORMULA C24H24O7 |
| − | EXACTMASS 424.152203122 | + | EXACTMASS 424.152203122 |
| − | AVERAGEMASS 424.44316000000003 | + | AVERAGEMASS 424.44316000000003 |
| − | SMILES O=C(C=Cc(c4)cccc4)c(c(O)1)c(cc(O2)c1C([H])(C(OC(C)=O)3)C([H])2OC(C)(C)3)OC | + | SMILES O=C(C=Cc(c4)cccc4)c(c(O)1)c(cc(O2)c1C([H])(C(OC(C)=O)3)C([H])2OC(C)(C)3)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.5507 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5507 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8362 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1217 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1217 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8362 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5928 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5928 -0.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3072 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0217 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7362 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4506 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1651 0.8594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1651 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4506 2.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7362 1.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8362 -0.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5463 2.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1266 1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 1.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8202 1.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3353 0.6045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6048 1.0170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6048 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8202 -0.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1651 0.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6048 -0.3947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4709 -0.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4709 -2.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8834 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7084 -1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2563 1.7080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0575 0.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 2 0 0 0 0
10 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
3 17 1 0 0 0 0
5 18 1 0 0 0 0
18 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 22 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
25 28 1 1 0 0 0
28 30 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
21 32 1 1 0 0 0
22 33 1 1 0 0 0
S SKP 8
ID FL1CA9NF0004
KNApSAcK_ID C00014446
NAME (+)-Tephropurpurin;[(+)-5'',5''-dimethyl-4''alpha-acacetoxytetrahydrofurano(2'',3''-b)-dihydrofurano(4',5'-h)-2'-methoxy-6'-hydroxychalcone]
CAS_RN 195609-89-3
FORMULA C24H24O7
EXACTMASS 424.152203122
AVERAGEMASS 424.44316000000003
SMILES O=C(C=Cc(c4)cccc4)c(c(O)1)c(cc(O2)c1C([H])(C(OC(C)=O)3)C([H])2OC(C)(C)3)OC
M END
