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cyanidin 3-O-beta-D-sambubioside

PropertiesImage
MNX_IDMNXM1583652 Image of MNXM1583652
referencechebi:74811
formulaC26H29O15
global charge1
mol weight581.503
InChIKeyZPPQIOUITZSYAO-AOBOYTTNSA-O
InChIInChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1
SMILESOC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1 Image of MNXM1583652
SMILES (mnx)[cH:1]1[cH:2][c:12]([OH:29])[c:14]([OH:31])[cH:3][c:9]1-[c:23]1[c:17]([O:39][C@H:26]2[C@H:24]([O:41][C@H:25]3[C@H:22]([OH:36])[C@@H:19]([OH:33])[C@H:15]([OH:32])[CH2:8][O:37]3)[C@@H:21]([OH:35])[C@H:20]([OH:34])[C@@H:18]([CH2:7][OH:27])[O:40]2)[cH:6][c:11]2[c:13]([OH:30])[cH:4][c:10]([OH:28])[cH:5][c:16]2[o+:38]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:74811
chebi:74811
ZPPQIOUITZSYAO-AOBOYTTNSA-O 		cyanidin 3-O-beta-D-sambubioside
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranoside
Cyanidin 3-O-sambubioside
Cyanidin 3-sambubioside

kegg.compound:C20490
keggC:C20490
ZPPQIOUITZSYAO-AOBOYTTNSA-O 		Cyanidin 3-O-beta-D-sambubioside

lipidmaps:LMPK12010114
lipidmapsM:LMPK12010114
ZPPQIOUITZSYAO-AOBOYTTNSA-O 		Sambicyanin
3-[2-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-1-benzopyrylium
Cyanidin 3-xyloglucoside
Cyanidine 3-sambubioside

keggC:M_C20490 		secondary/obsolete/fantasy identifier