Mol:FL2FAANI0024
From Metabolomics.JP
(Difference between revisions)
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28 29 1 0 | 28 29 1 0 | ||
28 30 1 0 | 28 30 1 0 | ||
− | S SKP | + | S SKP 11 |
ID FL2FAANI0024 | ID FL2FAANI0024 | ||
KNApSAcK_ID C00014186 | KNApSAcK_ID C00014186 | ||
− | NAME Macarangaflavanone A | + | NAME Macarangaflavanone A |
CAS_RN 171370-48-2 | CAS_RN 171370-48-2 | ||
FORMULA C25H28O5 | FORMULA C25H28O5 | ||
Line 75: | Line 75: | ||
M END | M END | ||
+ | SMILES | ||
SMILES | SMILES |
Revision as of 12:32, 28 July 2009
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -3.5749 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5749 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2894 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2893 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1459 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0038 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2894 -1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1459 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0038 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7183 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4314 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 1.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0025 1.4437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 1.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4271 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2879 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0031 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7183 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0031 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 1 3 1 0 1 4 1 0 2 5 1 0 2 6 1 0 3 7 1 0 3 8 2 0 4 9 2 0 4 10 1 0 5 11 1 0 6 12 2 0 7 11 1 0 9 12 1 0 11 13 1 0 12 14 1 0 13 15 1 0 13 16 2 0 15 17 2 0 16 18 1 0 17 19 1 0 17 20 1 0 18 19 2 0 19 21 1 0 20 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 24 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 S SKP 11 ID FL2FAANI0024 KNApSAcK_ID C00014186 NAME Macarangaflavanone A CAS_RN 171370-48-2 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 M END SMILES SMILES