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CHEBI:176308 - Peonidin 3-sambubioside 5-glucoside

Default Structure
ChEBI IDCHEBI:176308
ChEBI NamePeonidin 3-sambubioside 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H41O20
Net Charge+1
Average Mass757.671
Monoisotopic Mass757.21857
SMILESCOc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C33H40O20/c1-46-17-4-11(2-3-14(17)38)29-18(49-33-30(26(43)23(40)20(9-35)52-33)53-32-27(44)24(41)21(10-36)51-32)7-13-15(47-29)5-12(37)6-16(13)48-31-28(45)25(42)22(39)19(8-34)50-31/h2-7,19-28,30-36,39-45H,8-10H2,1H3,(H-,37,38)/p+1/t19-,20-,21-,22-,23-,24+,25+,26+,27-,28-,30-,31-,32+,33-/m1/s1
InChIKeySAYKPBCLCFGKFE-YHZZWPFKSA-O
ChEBI Ontology
Outgoing Relation(s)
Peonidin 3-sambubioside 5-glucoside (CHEBI:176308) is a anthocyanidin glycoside (CHEBI:71583)
IUPAC Name 
(2S,3R,4S,5S,6R)-2-[3-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
30777644ChemSpider
HMDB0041765HMDB