Mol:FL7AACGL0125
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AACGL0126.mol ChemDraw12051213492D 38 41 0 0 0 0 0 0 0 0999 V2000 -0.4206 -1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1351 -0.660...") |
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38 41 0 0 0 0 0 0 0 0999 V2000 | 38 41 0 0 0 0 0 0 0 0999 V2000 | ||
-0.4206 -1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | -0.4206 -1.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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1 30 1 0 | 1 30 1 0 | ||
M CHG 1 6 1 | M CHG 1 6 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AACGL0125 | ID FL7AACGL0125 | ||
| + | KNApSAcK_ID | ||
| + | NAME Cyanidin 3-O- (6-O-malonyl-beta-D-glucopyranoside) | ||
| + | CAS_RN 171828-62-9 | ||
FORMULA C24H23O14 | FORMULA C24H23O14 | ||
EXACTMASS 535.108780444 | EXACTMASS 535.108780444 | ||
Latest revision as of 13:51, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
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M CHG 1 6 1
S SKP 9
AUTODRAW FALSE
ID FL7AACGL0125
KNApSAcK_ID
NAME Cyanidin 3-O- (6-O-malonyl-beta-D-glucopyranoside)
CAS_RN 171828-62-9
FORMULA C24H23O14
EXACTMASS 535.108780444
AVERAGEMASS 535.43102
SMILES OC(=O)CC(=O)OCC(O1)C(O)C(O)C(O)C1Oc(c3)c([o+1]c(c4)c(c(O)cc(O)4)3)c(c2)cc(O)c(O)c2
M END
