Mol:FL7ARXGL0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 49 0 0 0 0 0 0 0 0999 V2000 | + | 44 49 0 0 0 0 0 0 0 0999 V2000 |
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| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
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| − | 36 44 1 0 0 0 0 | + | 36 44 1 0 0 0 0 |
| − | 22 37 1 0 0 0 0 | + | 22 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7ARXGL0004 | + | ID FL7ARXGL0004 |
| − | KNApSAcK_ID C00011187 | + | KNApSAcK_ID C00011187 |
| − | NAME Malvidin 3-glucoside-4-vinylphenol | + | NAME Malvidin 3-glucoside-4-vinylphenol |
| − | CAS_RN 388089-39-2 | + | CAS_RN 388089-39-2 |
| − | FORMULA C31H29O13 | + | FORMULA C31H29O13 |
| − | EXACTMASS 609.160816014 | + | EXACTMASS 609.160816014 |
| − | AVERAGEMASS 609.55416 | + | AVERAGEMASS 609.55416 |
| − | SMILES OCC(O1)C(C(O)C(C1Oc(c54)c(c(c6)cc(OC)c(O)c(OC)6)[o+1]c(c52)cc(O)cc2OC(=C4)c(c3)ccc(c3)O)O)O | + | SMILES OCC(O1)C(C(O)C(C1Oc(c54)c(c(c6)cc(OC)c(O)c(OC)6)[o+1]c(c52)cc(O)cc2OC(=C4)c(c3)ccc(c3)O)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
44 49 0 0 0 0 0 0 0 0999 V2000
-1.3533 -1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6496 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3533 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0569 0.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3533 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0569 1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7606 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7606 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0541 1.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2176 2.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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22 37 1 0 0 0 0
S SKP 8
ID FL7ARXGL0004
KNApSAcK_ID C00011187
NAME Malvidin 3-glucoside-4-vinylphenol
CAS_RN 388089-39-2
FORMULA C31H29O13
EXACTMASS 609.160816014
AVERAGEMASS 609.55416
SMILES OCC(O1)C(C(O)C(C1Oc(c54)c(c(c6)cc(OC)c(O)c(OC)6)[o+1]c(c52)cc(O)cc2OC(=C4)c(c3)ccc(c3)O)O)O
M END
