Mol:FL7AFAGL0001
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AFAGL0001.mol ChemDraw12051215482D 55 61 0 0 0 0 0 0 0 0999 V2000 -1.3208 1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 1.623...") |
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55 61 0 0 0 0 0 0 0 0999 V2000 | 55 61 0 0 0 0 0 0 0 0999 V2000 | ||
-1.3208 1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -1.3208 1.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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37 48 1 0 | 37 48 1 0 | ||
M CHG 1 17 1 | M CHG 1 17 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AFAGL0001 | ID FL7AFAGL0001 | ||
| + | KNApSAcK_ID | ||
| + | NAME Catechin (4alpha-8) peralgonidin 3-O-beta-glucopyranoside | ||
| + | CAS_RN 753008-64-9 | ||
FORMULA C36H33O16 | FORMULA C36H33O16 | ||
EXACTMASS 721.176860008 | EXACTMASS 721.176860008 | ||
Latest revision as of 15:51, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
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M CHG 1 17 1
S SKP 9
AUTODRAW FALSE
ID FL7AFAGL0001
KNApSAcK_ID
NAME Catechin (4alpha-8) peralgonidin 3-O-beta-glucopyranoside
CAS_RN 753008-64-9
FORMULA C36H33O16
EXACTMASS 721.176860008
AVERAGEMASS 721.63762
SMILES c(c7)c(ccc(O)7)c([o+1]1)c(OC(O6)C(C(C(C6CO)O)O)O)cc(c(O)2)c(c(C(C4([H])O)([H])c(c(OC4(c(c5)cc(O)c(c5)O)[H])3)c(cc(O)c3)O)c(c2)O)1
M END
