Mol:Paeonol
From Metabolomics.JP
(Difference between revisions)
| Line 27: | Line 27: | ||
9 11 1 0 0 0 0 | 9 11 1 0 0 0 0 | ||
9 12 2 0 0 0 0 | 9 12 2 0 0 0 0 | ||
| − | S SKP | + | S SKP 9 |
ID Paeonol | ID Paeonol | ||
KNApSAcK_ID C00002704 | KNApSAcK_ID C00002704 | ||
| Line 36: | Line 36: | ||
AVERAGEMASS 166.1739 | AVERAGEMASS 166.1739 | ||
SMILES COc(c1)cc(O)c(c1)C(C)=O | SMILES COc(c1)cc(O)c(c1)C(C)=O | ||
| + | AUTODRAW FALSE | ||
M END | M END | ||
Latest revision as of 16:24, 1 March 2011
Copyright: ARM project http://www.metabolome.jp/ 12 12 0 0 0 0 0 0 0 0 1 V2000 23.3933 -13.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3933 -15.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2414 -13.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2414 -15.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0896 -13.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0896 -15.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9378 -13.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9378 -11.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5451 -15.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2413 -17.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5451 -17.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6969 -15.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 9 1 0 0 0 0 4 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 S SKP 9 ID Paeonol KNApSAcK_ID C00002704 NAME Paeonol CAS_RN 552-41-0 FORMULA C9H10O3 EXACTMASS 166.062994186 AVERAGEMASS 166.1739 SMILES COc(c1)cc(O)c(c1)C(C)=O AUTODRAW FALSE M END
