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CHEBI:176016 - Pteroside A

ChEBI IDCHEBI:176016
ChEBI NamePteroside A
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FormulaC21H30O8
Net Charge0
Average Mass410.463
Monoisotopic Mass410.19407
SMILESCc1cc2c(c(C)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@](C)(CO)C2
InChIInChI=1S/C21H30O8/c1-10-6-12-7-21(3,9-23)19(27)15(12)11(2)13(10)4-5-28-20-18(26)17(25)16(24)14(8-22)29-20/h6,14,16-18,20,22-26H,4-5,7-9H2,1-3H3/t14-,16-,17+,18-,20-,21+/m1/s1
InChIKeyUTBLUTBCAVVCIO-HPCBLLCTSA-N
ChEBI Ontology
Outgoing Relation(s)
Pteroside A (CHEBI:176016) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S)-2-(hydroxymethyl)-2,5,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one
Manual XrefsDatabases
21781986ChemSpider
Registry NumbersSources
CAS:35910-15-7ChemIDplus