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CHEBI:182981 - Polygonatiin

ChEBI IDCHEBI:182981
ChEBI NamePolygonatiin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O20
Net Charge0
Average Mass756.663
Monoisotopic Mass756.21129
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
InChIInChI=1S/C33H40O20/c34-7-16-22(42)25(45)30(52-33-31(26(46)23(43)18(9-36)51-33)53-32-27(47)24(44)21(41)17(8-35)50-32)29(49-16)20-13(39)5-12(38)19-14(40)6-15(48-28(19)20)10-1-3-11(37)4-2-10/h1-6,16-18,21-27,29-39,41-47H,7-9H2/t16?,17?,18?,21-,22-,23-,24+,25+,26+,27?,29+,30?,31?,32+,33+/m1/s1
InChIKeyCRMYONWTUPGSBF-FIJVPUKASA-N
Species of MetaboliteComponentSourceComments
Cucumis melo (ncbitaxon:3656) seed (BTO:0001226) MetaboLights (MTBLS2993)
ChEBI Ontology
Outgoing Relation(s)
Polygonatiin (CHEBI:182981) is a C-glycosyl compound (CHEBI:20857)
Polygonatiin (CHEBI:182981) is a flavonoids (CHEBI:72544)
IUPAC Name 
8-[(2S,4S,5S)-3-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Manual XrefsDatabases
LMPK12110254LIPID MAPS
24843308ChemSpider