Mol:FL7AAIGL0031
From Metabolomics.JP
(Difference between revisions)
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| − | 54 57 1 0 0 0 0 | + | 54 57 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7AAIGL0031 | + | ID FL7AAIGL0031 |
| − | KNApSAcK_ID C00011081 | + | KNApSAcK_ID C00011081 |
| − | NAME Malvidin 3-O-(6-O-(Z)-p-coumalonyl-beta-glucopyranoside)-5-O-beta-glucopyranoside | + | NAME Malvidin 3-O-(6-O-(Z)-p-coumalonyl-beta-glucopyranoside)-5-O-beta-glucopyranoside |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C38H41O19 | + | FORMULA C38H41O19 |
| − | EXACTMASS 801.22420413 | + | EXACTMASS 801.22420413 |
| − | AVERAGEMASS 801.72074 | + | AVERAGEMASS 801.72074 |
| − | SMILES C(=Cc(c6)ccc(O)c6)C(=O)OCC(O1)C(O)C(C(O)C1Oc(c(c(c5)cc(OC)c(c(OC)5)O)2)cc(c3OC(O4)C(O)C(C(O)C4CO)O)c(cc(c3)O)[o+1]2)O | + | SMILES C(=Cc(c6)ccc(O)c6)C(=O)OCC(O1)C(O)C(C(O)C1Oc(c(c(c5)cc(OC)c(c(OC)5)O)2)cc(c3OC(O4)C(O)C(C(O)C4CO)O)c(cc(c3)O)[o+1]2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
57 62 0 0 0 0 0 0 0 0999 V2000
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0.8830 1.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2725 1.5334 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.4645 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0481 1.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6316 1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6316 2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0481 2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 2.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2377 2.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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54 57 1 0 0 0 0
S SKP 8
ID FL7AAIGL0031
KNApSAcK_ID C00011081
NAME Malvidin 3-O-(6-O-(Z)-p-coumalonyl-beta-glucopyranoside)-5-O-beta-glucopyranoside
CAS_RN -
FORMULA C38H41O19
EXACTMASS 801.22420413
AVERAGEMASS 801.72074
SMILES C(=Cc(c6)ccc(O)c6)C(=O)OCC(O1)C(O)C(C(O)C1Oc(c(c(c5)cc(OC)c(c(OC)5)O)2)cc(c3OC(O4)C(O)C(C(O)C4CO)O)c(cc(c3)O)[o+1]2)O
M END
