Mol:PR100637
From Metabolomics.JP
(Difference between revisions)
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− | ISISHOST03240423252D 1 1.00000 0.00000 9250 | + | ISISHOST03240423252D 1 1.00000 0.00000 9250 |
− | + | ||
− | 19 21 0 0 0 999 V2000 | + | 19 21 0 0 0 999 V2000 |
− | -1.0552 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.0552 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | -1.0517 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.0517 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | -0.3379 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.3379 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | -1.7690 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.7690 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | -0.3310 1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -0.3310 1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 |
− | -1.7690 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.7690 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | 0.3759 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.3759 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | -0.3414 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -0.3414 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 |
− | -2.4897 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -2.4897 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | 0.3793 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.3793 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | -2.4897 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -2.4897 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | 1.0931 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.0931 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | -3.2069 1.3828 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -3.2069 1.3828 0.0000 O 0 0 0 0 0 0 0 0 0 |
− | 1.0862 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.0862 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | 1.8103 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.8103 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | 1.8035 -1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.8035 -1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | 2.5276 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 2.5276 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | 2.5241 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 2.5241 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 |
− | 3.2414 -1.5414 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 3.2414 -1.5414 0.0000 O 0 0 0 0 0 0 0 0 0 |
− | 1 2 2 0 0 0 | + | 1 2 2 0 0 0 |
− | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
− | 1 4 1 0 0 0 | + | 1 4 1 0 0 0 |
− | 2 5 1 0 0 0 | + | 2 5 1 0 0 0 |
− | 2 6 1 0 0 0 | + | 2 6 1 0 0 0 |
− | 3 7 1 0 0 0 | + | 3 7 1 0 0 0 |
− | 3 8 2 0 0 0 | + | 3 8 2 0 0 0 |
− | 4 9 2 0 0 0 | + | 4 9 2 0 0 0 |
− | 5 10 1 0 0 0 | + | 5 10 1 0 0 0 |
− | 6 11 2 0 0 0 | + | 6 11 2 0 0 0 |
− | 7 12 1 0 0 0 | + | 7 12 1 0 0 0 |
− | 11 13 1 0 0 0 | + | 11 13 1 0 0 0 |
− | 12 14 2 0 0 0 | + | 12 14 2 0 0 0 |
− | 12 15 1 0 0 0 | + | 12 15 1 0 0 0 |
− | 14 16 1 0 0 0 | + | 14 16 1 0 0 0 |
− | 15 17 2 0 0 0 | + | 15 17 2 0 0 0 |
− | 16 18 2 0 0 0 | + | 16 18 2 0 0 0 |
− | 18 19 1 0 0 0 | + | 18 19 1 0 0 0 |
− | 7 10 2 0 0 0 | + | 7 10 2 0 0 0 |
− | 9 11 1 0 0 0 | + | 9 11 1 0 0 0 |
− | 17 18 1 0 0 0 | + | 17 18 1 0 0 0 |
− | S SKP | + | S SKP 7 |
− | CAS_RN 486-66-8 | + | CAS_RN 486-66-8 |
− | NAME Daidzein | + | NAME Daidzein |
+ | ID PR100637 | ||
+ | FORMULA C15H10O4 | ||
+ | EXACTMASS 254.05790880799998 | ||
+ | AVERAGEMASS 254.2375 | ||
+ | SMILES Oc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 | ||
M END | M END |
Latest revision as of 10:28, 23 December 2009
ISISHOST03240423252D 1 1.00000 0.00000 9250 19 21 0 0 0 999 V2000 -1.0552 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0517 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3379 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7690 -0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3310 1.3793 0.0000 O 0 0 0 0 0 0 0 0 0 -1.7690 1.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0.3759 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3414 -1.1103 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4897 0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0.3793 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4897 0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 1.0931 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2069 1.3828 0.0000 O 0 0 0 0 0 0 0 0 0 1.0862 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 1.8103 0.1241 0.0000 C 0 0 0 0 0 0 0 0 0 1.8035 -1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 2.5276 -0.2897 0.0000 C 0 0 0 0 0 0 0 0 0 2.5241 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 3.2414 -1.5414 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 6 11 2 0 0 0 7 12 1 0 0 0 11 13 1 0 0 0 12 14 2 0 0 0 12 15 1 0 0 0 14 16 1 0 0 0 15 17 2 0 0 0 16 18 2 0 0 0 18 19 1 0 0 0 7 10 2 0 0 0 9 11 1 0 0 0 17 18 1 0 0 0 S SKP 7 CAS_RN 486-66-8 NAME Daidzein ID PR100637 FORMULA C15H10O4 EXACTMASS 254.05790880799998 AVERAGEMASS 254.2375 SMILES Oc(c3)ccc(c3)C(=C1)C(=O)c(c2)c(cc(O)c2)O1 M END