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pelargonidin 3-(6-p-coumaroyl)glucoside

MNXM93756 is deprecated and here replaced by MNXM1368817
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368817 Image of MNXM1368817
referencechebi:80475
formulaC30H27O12
global charge1
mol weight579.534
InChIKeyVZPBBOAZFCREMQ-SHPGVJHPSA-O
InChIInChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/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(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30,36-38H,14H2,(H3-,31,32,33,34,35)/b10-3?/t24-,26-,27+,28-,30-/m1/s1 Image of MNXM1368817
SMILES (mnx)[CH:1]1=[CH:6][C:17]([OH:31])=[CH:7][CH:2]=[C:15]1[CH:3]=[CH:10][C:25]([O-:35])=[O+:39][CH2:14][C@@H:24]1[C@@H:26]([OH:36])[C@H:27]([OH:37])[C@@H:28]([OH:38])[C@H:30]([O:41][C:23]2=[CH:13][C:20]3=[C:21]([OH:34])[CH:11]=[C:19]([OH:33])[CH:12]=[C:22]3[O:40][C:29]2=[C:16]2[CH:4]=[CH:8][C:18](=[O:32])[CH:9]=[CH:5]2)[O:42]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:80475
chebi:80475
VZPBBOAZFCREMQ-SHPGVJHPSA-O 		pelargonidin 3-(6-p-coumaroyl)glucoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside

kegg.compound:C16368
keggC:C16368
VZPBBOAZFCREMQ-SHPGVJHPSA-O 		Pelargonidin 3-(6-p-coumaroyl)glucoside

lipidmaps:LMPK12010031
lipidmapsM:LMPK12010031
VZPBBOAZFCREMQ-SHPGVJHPSA-O 		Pelargonidin 3-p-coumarylglucoside
hmdb:HMDB0301883
VZPBBOAZFCREMQ-SHPGVJHPSA-O 		Pelargonidin 3-p-coumarylglucoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-1lambda⁴-chromen-1-ylium

metacyc.compound:CPD-7384
metacycM:CPD-7384
VZPBBOAZFCREMQ-SHPGVJHPSA-N 		pelargonidin 3-O-beta-D-(4-coumaroyl)glucoside
pelargonidin 3-O-beta-D-p-coumaroylglucoside

keggC:M_C16368 		secondary/obsolete/fantasy identifier