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cyanidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)

MNXM724520 is deprecated and here replaced by MNXM1368587
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368587 Image of MNXM1368587
referencechebi:29560
formulaC30H27O13
global charge1
mol weight595.533
InChIKeyQAOBEOXFSUJDJL-SHPGVJHPSA-O
InChIInChI=1S/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/p+1/t24-,26-,27+,28-,30-/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H26O13/c31-16-5-1-14(2-6-16)3-8-25(36)40-13-24-26(37)27(38)28(39)30(43-24)42-23-12-18-20(34)10-17(32)11-22(18)41-29(23)15-4-7-19(33)21(35)9-15/h1-12,24,26-28,30,37-39H,13H2,(H4-,31,32,33,34,35,36)/b8-3?/t24-,26-,27+,28-,30-/m1/s1 Image of MNXM1368587
SMILES (mnx)[CH:1]1=[CH:5][C:16]([OH:31])=[CH:6][CH:2]=[C:14]1[CH:3]=[CH:8][C:25]([O-:36])=[O+:40][CH2:13][C@@H:24]1[C@@H:26]([OH:37])[C@H:27]([OH:38])[C@@H:28]([OH:39])[C@H:30]([O:42][C:23]2=[C:29]([C:15]3=[CH:9][C:21]([OH:35])=[C:19]([OH:33])[CH:7]=[CH:4]3)[O:41][C:22]3=[CH:11][C:17]([OH:32])=[CH:10][C:20](=[O:34])[C:18]3=[CH:12]2)[O:43]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:29560
chebi:29560
QAOBEOXFSUJDJL-SHPGVJHPSA-O 		cyanidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
Cyanidin 3-O-(6-O-p-coumaroyl)glucoside
cyanidin 3-O-(6-O-(E)-p-coumaroyl-beta-D-glucoside)

kegg.compound:C12095
keggC:C12095
QAOBEOXFSUJDJL-SHPGVJHPSA-O 		Cyanidin 3-O-(6-O-p-coumaroyl)glucoside

lipidmaps:LMPK12010139
lipidmapsM:LMPK12010139
QAOBEOXFSUJDJL-SHPGVJHPSA-O 		Hyacinthin
2-(3,4-Dihydroxyphenyl)-3-[[6-O-[3-(4-hydroxyphenyl)acryloyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-1-benzopyrylium
Cyanidin 3-(6-O-p-coumarylglucoside)

metacyc.compound:CPD-16541
metacycM:CPD-16541
QAOBEOXFSUJDJL-SHPGVJHPSA-M 		cyanidin 3-O-[6-O-(4-coumaroyl)]-beta-D-glucoside
cyanidin 3-(p-coumaroyl)-glucoside
cyanidin 3-O-[6"-O-(p-coumaroyl)] glucoside
cyanidin 3-O-beta-D-p-coumaroylglucoside

CHEBI:131451
chebi:131451
QAOBEOXFSUJDJL-SHPGVJHPSA-O 		cyanidin 3-O-{6-O-[(Z)-4-coumaroyl]-beta-D-glucoside}
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-1-ium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
cyanidin 3-O-(6-O-(Z)-p-coumaroyl-beta-D-glucoside)
cyanidin 3-O-(6-O-cis-4-coumaroyl-beta-D-glucoside)
cyanidin 3-O-(6-O-cis-p-coumaroyl-beta-D-glucoside)

keggC:M_C12095 		secondary/obsolete/fantasy identifier