Mol:FLIC1LNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1132 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1132 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1132 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1132 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6128 -0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6128 -0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1123 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1123 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1123 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1123 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6128 0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6128 0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6119 -0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6119 -0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1114 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1114 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1114 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1114 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6119 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6119 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3180 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3180 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6128 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6128 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1315 1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1315 1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6503 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6503 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6503 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6503 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0929 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0929 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2414 0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2414 0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2839 -0.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2839 -0.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3180 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3180 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8056 -1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8056 -1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2932 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2932 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2932 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2932 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8056 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8056 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8056 0.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8056 0.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7803 -1.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7803 -1.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7803 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7803 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2673 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2673 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7543 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7543 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2414 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2414 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7543 0.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7543 0.1183 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 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 11 8 1 0 0 0 0 | + | 11 8 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 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 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 1 1 0 0 0 0 | + | 15 1 1 0 0 0 0 |
| − | 14 16 1 1 0 0 0 | + | 14 16 1 1 0 0 0 |
| − | 14 17 1 6 0 0 0 | + | 14 17 1 6 0 0 0 |
| − | 8 18 1 6 0 0 0 | + | 8 18 1 6 0 0 0 |
| − | 11 19 2 0 0 0 0 | + | 11 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 11 1 0 0 0 0 | + | 23 11 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNP0002 | + | ID FLIC1LNP0002 |
| − | KNApSAcK_ID C00002534 | + | KNApSAcK_ID C00002534 |
| − | NAME Hispaglabridin A | + | NAME Hispaglabridin A |
| − | CAS_RN 68978-03-0 | + | CAS_RN 68978-03-0 |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES C(c(c4O)c(O)c(cc4)C(C1)(COc(c23)c(ccc(OC(C=C3)(C)C)2)1)[H])C=C(C)C | + | SMILES C(c(c4O)c(O)c(cc4)C(C1)(COc(c23)c(ccc(OC(C=C3)(C)C)2)1)[H])C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-2.1132 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1132 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6128 -0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1123 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1123 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6128 0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 -0.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1114 -0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1114 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6119 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3180 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6128 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1315 1.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6503 1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6503 0.5282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0929 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2414 0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2839 -0.9824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3180 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8056 -1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 -1.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8056 -0.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8056 0.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7803 -1.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7803 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2673 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7543 -0.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2414 -0.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7543 0.1183 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 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
11 8 1 0 0 0 0
6 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 1 1 0 0 0 0
14 16 1 1 0 0 0
14 17 1 6 0 0 0
8 18 1 6 0 0 0
11 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 11 1 0 0 0 0
23 24 1 0 0 0 0
21 25 1 0 0 0 0
22 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FLIC1LNP0002
KNApSAcK_ID C00002534
NAME Hispaglabridin A
CAS_RN 68978-03-0
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES C(c(c4O)c(O)c(cc4)C(C1)(COc(c23)c(ccc(OC(C=C3)(C)C)2)1)[H])C=C(C)C
M END
