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CHEBI:181563 - Icariside B5

ChEBI IDCHEBI:181563
ChEBI NameIcariside B5
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O8
Net Charge0
Average Mass388.457
Monoisotopic Mass388.20972
SMILESCC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h7,11,13-17,20,22-25H,5-6,8-9H2,1-4H3/t11-,13-,14-,15+,16-,17-,19-/m1/s1
InChIKeyCZYPGTRKJFYXLT-SUHXYMONSA-N
ChEBI Ontology
Outgoing Relation(s)
Icariside B5 (CHEBI:181563) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]cyclohex-2-en-1-one
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10260639ChemSpider