Mol:FL7AFAGL0004
From Metabolomics.JP
(Difference between revisions)
(Created page with "FL7AFAGL0004.mol ChemDraw12051215462D 54 60 0 0 0 0 0 0 0 0999 V2000 -1.3208 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 1.633...") |
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54 60 0 0 0 0 0 0 0 0999 V2000 | 54 60 0 0 0 0 0 0 0 0999 V2000 | ||
-1.3208 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -1.3208 1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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36 47 1 0 | 36 47 1 0 | ||
M CHG 1 17 1 | M CHG 1 17 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7AFAGL0004 | ID FL7AFAGL0004 | ||
| + | KNApSAcK_ID | ||
| + | NAME Epiafzelechin (4alpha-8) peralgonidin 3-O-beta-glucopyranoside | ||
| + | CAS_RN 753008-67-2 | ||
FORMULA C36H33O15 | FORMULA C36H33O15 | ||
EXACTMASS 705.181945386 | EXACTMASS 705.181945386 | ||
Latest revision as of 15:55, 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 FL7AFAGL0004
KNApSAcK_ID
NAME Epiafzelechin (4alpha-8) peralgonidin 3-O-beta-glucopyranoside
CAS_RN 753008-67-2
FORMULA C36H33O15
EXACTMASS 705.181945386
AVERAGEMASS 705.63822
SMILES C(Oc(c3)c([o+1]c(c(C([H])(c56)C(C([H])(c(c7)ccc(c7)O)Oc(cc(cc(O)6)O)5)([H])O)4)c(c(O)cc(O)4)3)c(c2)ccc(O)c2)(O1)C(C(C(C1CO)O)O)O
M END
