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delphinidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)

MNXM28467 is deprecated and here replaced by MNXM1364650
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364650 Image of MNXM1364650
referencechebi:75675
formulaC30H27O14
global charge1
mol weight611.532
InChIKeyDHTPVCYNNWQRMN-LHRGPQAGSA-O
InChIInChI=1S/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t23-,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(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H26O14/c31-15-4-1-13(2-5-15)3-6-24(36)41-12-23-26(38)27(39)28(40)30(44-23)43-22-11-17-18(33)9-16(32)10-21(17)42-29(22)14-7-19(34)25(37)20(35)8-14/h1-11,23,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/b6-3?/t23-,26-,27+,28-,30-/m1/s1 Image of MNXM1364650
SMILES (mnx)[CH:1]1=[CH:4][C:15]([OH:31])=[CH:5][CH:2]=[C:13]1[CH:3]=[CH:6][C:24]([OH:36])=[O+:41][CH2:12][C@@H:23]1[C@@H:26]([OH:38])[C@H:27]([OH:39])[C@@H:28]([OH:40])[C@H:30]([O:43][C:22]2=[C:29]([C:14]3=[CH:7][C:19]([OH:34])=[C:25]([O-:37])[C:20]([OH:35])=[CH:8]3)[O:42][C:21]3=[CH:10][C:16]([OH:32])=[CH:9][C:18](=[O:33])[C:17]3=[CH:11]2)[O:44]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75675
chebi:75675
DHTPVCYNNWQRMN-LHRGPQAGSA-O 		delphinidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
delfinidin 3-O-(6-O-(Z)-4-coumaroyl-beta-D-glucoside)
delfinidin 3-O-(6-O-(Z)-p-coumaroyl-beta-D-glucoside)

lipidmaps:LMPK12010293
lipidmapsM:LMPK12010293
DHTPVCYNNWQRMN-LHRGPQAGSA-O 		Delphinidin 3-(6''-p-coumarylglucoside)
3,5,7,3',4',5'-Hexahydroxyflavylium 3-(6"-p-coumarylglucoside)

kegg.compound:C16370
keggC:C16370
DHTPVCYNNWQRMN-LHRGPQAGSA-O 		Delphinidin 3-(6-p-coumaroyl)glucoside

CHEBI:75677
chebi:75677
DHTPVCYNNWQRMN-LHRGPQAGSA-O 		delphinidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside
Delphinidin 3-(6-p-coumaroyl)glucoside
Delphinidin 3-O-beta-D-(6-O-(E)-p-coumaryl)galactopyranoside
delfinidin 3-O-(6-O-(E)-4-coumaroyl-beta-D-glucoside)
delfinidin 3-O-(6-O-(E)-p-coumaroyl-beta-D-glucoside)

keggC:M_C16370 		secondary/obsolete/fantasy identifier