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CHEBI:181763 - Furostane base-2H + O-Hex

ChEBI IDCHEBI:181763
ChEBI NameFurostane base-2H + O-Hex
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H54O9
Net Charge0
Average Mass594.786
Monoisotopic Mass594.37678
SMILESCC(CCC1(O)OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C33H54O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h5,17-18,20-30,34-39H,6-16H2,1-4H3
InChIKeyDFVRTHJUFCVHTR-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Furostane base-2H + O-Hex (CHEBI:181763) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[4-(6,16-dihydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-6-yl)-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol