Mol:FL7ADINS0002
From Metabolomics.JP
(Difference between revisions)
(Created page with "300817-32-7.mol ChemDraw11281217212D 26 29 0 0 0 0 0 0 0 0999 V2000 -2.1431 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 -0.1879...") |
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26 29 0 0 0 0 0 0 0 0999 V2000 | 26 29 0 0 0 0 0 0 0 0999 V2000 | ||
-2.1431 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | -2.1431 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | ||
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M CHG 1 5 1 | M CHG 1 5 1 | ||
| − | S SKP | + | S SKP 9 |
| + | AUTODRAW FALSE | ||
ID FL7ADINS0002 | ID FL7ADINS0002 | ||
| + | KNApSAcK_ID | ||
| + | NAME Vitisidin B | ||
| + | CAS_RN 300817-32-7 | ||
FORMULA C19H15O7 | FORMULA C19H15O7 | ||
EXACTMASS 355.081777834 | EXACTMASS 355.081777834 | ||
Latest revision as of 15:41, 5 December 2012
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
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0.6904 2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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9 21 1 0
21 22 2 0
22 11 1 0
18 23 1 0
17 24 1 0
24 25 1 0
23 26 1 0
M CHG 1 5 1
S SKP 9
AUTODRAW FALSE
ID FL7ADINS0002
KNApSAcK_ID
NAME Vitisidin B
CAS_RN 300817-32-7
FORMULA C19H15O7
EXACTMASS 355.081777834
AVERAGEMASS 355.31820000000005
SMILES COc(c1)c(O)c(OC)cc1c([o+1]2)c(O)c(C=4)c(c(OC4)3)c(cc(O)c3)2
M END
