Mol:FL7DBANS0001
From Metabolomics.JP
(Difference between revisions)
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20 22 0 0 0 0 0 0 0 0999 V2000 | 20 22 0 0 0 0 0 0 0 0999 V2000 | ||
-1.0718 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -1.0718 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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M CHG 1 3 1 | M CHG 1 3 1 | ||
− | S SKP | + | S SKP 9 |
+ | AUTODRAW FALSE | ||
ID FL7DBANS0001 | ID FL7DBANS0001 | ||
+ | KNApSAcK_ID | ||
+ | NAME 5-O-Methylapigeninidin | ||
+ | CAS_RN 135748-46-8 | ||
FORMULA C16H13O4 | FORMULA C16H13O4 | ||
EXACTMASS 269.081383904 | EXACTMASS 269.081383904 |
Latest revision as of 16:04, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/ 20 22 0 0 0 0 0 0 0 0999 V2000 -1.0718 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0718 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 0.8250 0.0000 O 0 3 0 0 0 3 0 0 0 0 0 0 -1.7862 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2152 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5007 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5007 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5007 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 2.0625 0.0000 O 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 2 0 4 8 2 0 5 9 2 0 5 10 1 0 6 11 2 0 7 11 1 0 7 12 1 0 8 9 1 0 8 13 1 0 10 14 1 0 12 15 1 0 12 16 2 0 15 17 2 0 16 18 1 0 17 19 1 0 18 19 2 0 19 20 1 0 M CHG 1 3 1 S SKP 9 AUTODRAW FALSE ID FL7DBANS0001 KNApSAcK_ID NAME 5-O-Methylapigeninidin CAS_RN 135748-46-8 FORMULA C16H13O4 EXACTMASS 269.081383904 AVERAGEMASS 269.27202 SMILES COc(c3)c(c2)c(cc(O)3)[o+1]c(c2)c(c1)ccc(O)c1 M END