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Cyanidin 3-(6-p-caffeoyl)glucoside

MNXM11214 is deprecated and here replaced by MNXM1364614
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364614 Image of MNXM1364614
referencechebi:80476
formulaC30H27O14
global charge1
mol weight611.532
InChIKeyRTVUMLBJQCCROY-SHPGVJHPSA-O
InChIInChI=1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p+1/t24-,26-,27+,28-,30-/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C(O)=C1)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/b6-2?/t24-,26-,27+,28-,30-/m1/s1 Image of MNXM1364614
SMILES (mnx)[CH:1]1=[CH:4][C:17]([OH:32])=[C:20]([OH:35])[CH:7]=[C:13]1[CH:2]=[CH:6][C:25]([O-:37])=[O+:41][CH2:12][C@@H:24]1[C@@H:26]([OH:38])[C@H:27]([OH:39])[C@@H:28]([OH:40])[C@H:30]([O:43][C:23]2=[C:29]([C:14]3=[CH:8][C:21]([OH:36])=[C:18]([OH:33])[CH:5]=[CH:3]3)[O:42][C:22]3=[CH:10][C:15]([OH:31])=[CH:9][C:19](=[O:34])[C:16]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:80476
chebi:80476
kegg.compound:C16369
keggC:C16369
RTVUMLBJQCCROY-SHPGVJHPSA-O 		Cyanidin 3-(6-p-caffeoyl)glucoside

lipidmaps:LMPK12010140
lipidmapsM:LMPK12010140
RTVUMLBJQCCROY-SHPGVJHPSA-O 		Cyanidin 3-(6''-caffeylglucoside)

metacyc.compound:CPD-18098
metacycM:CPD-18098
RTVUMLBJQCCROY-SHPGVJHPSA-M 		cyanidin 3-O-beta-D-caffeoylglucoside
cyanidin 3-O-[6"-O-(caffeoyl)] glucoside

keggC:M_C16369 		secondary/obsolete/fantasy identifier