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Cyanidin 3-O-(6''-O-succinyl-beta-glucopyranoside)

MNXM1107097 is deprecated and replaced by MNXM1107096
PropertiesImage
MNX_IDMNXM1107096 Image of MNXM1107096
referencelipidmapsM:LMPK12010202
formulaC25H25O14
global charge1
mol weight549.461
InChIKeyMIYGQTFETYBMKF-WVXUANQFSA-O
InChIInChI=1S/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/p+1/t18-,21-,22+,23-,25-/m1/s1
SMILESO=C(O)CCC(=O)OC[C@H]1O[C@@H](OC2=C(C3=CC(O)=C(O)C=C3)[O+]=C3C=C(O)C=C(O)C3=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/t18-,21-,22+,23-,25-/m1/s1 Image of MNXM1107096
SMILES (mnx)[CH:1]1=[CH:2][C:13]([OH:27])=[C:15]([OH:29])[CH:5]=[C:10]1[C:24]1=[O+:37][C:16]2=[CH:7][C:11]([OH:26])=[CH:6][C:14]([OH:28])=[C:12]2[CH:8]=[C:17]1[O:38][C@H:25]1[C@H:23]([OH:35])[C@@H:22]([OH:34])[C@H:21]([OH:33])[C@@H:18]([CH2:9][O:36][C:20]([CH2:4][CH2:3][C:19](=[O:30])[O-:31])=[O:32])[O:39]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPK12010202
lipidmapsM:LMPK12010202
MIYGQTFETYBMKF-WVXUANQFSA-O 		Cyanidin 3-O-(6''-O-succinyl-beta-glucopyranoside)
3,5,7,3',4'-Pentahydroxyflavylium 3-O-(6"-O-succinyl-beta-glucopyranoside)
hmdb:HMDB0029237
MIYGQTFETYBMKF-WVXUANQFSA-O 		Cyanidin 3-(6''-succinyl-glucoside)
3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium
Cyanidin 3-(6-O-succinoyl-beta-D-glucopyranoside)
Cyanidin 3-O-(6''-succinyl-glucoside)

hmdb:HMDB29237 		secondary/obsolete/fantasy identifier