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CHEBI:178559 - Isonarthogenin

Default Structure
ChEBI IDCHEBI:178559
ChEBI NameIsonarthogenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42O4
Net Charge0
Average Mass430.629
Monoisotopic Mass430.30831
SMILESCC1C2C(CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@@]32C)OC12CC[C@@H](CO)CO2
InChIInChI=1S/C27H42O4/c1-16-24-23(31-27(16)11-6-17(14-28)15-30-27)13-22-20-5-4-18-12-19(29)7-9-25(18,2)21(20)8-10-26(22,24)3/h4,16-17,19-24,28-29H,5-15H2,1-3H3/t16?,17-,19-,20?,21?,22?,23?,24?,25-,26-,27?/m0/s1
InChIKeyNZQMLFKQRZBSPM-XKCUSHGZSA-N
ChEBI Ontology
Outgoing Relation(s)
Isonarthogenin (CHEBI:178559) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(5'S,9S,13R,16S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
Manual XrefsDatabases
4477141ChemSpider