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CHEBI:188258 - Torvoside D

Default Structure
ChEBI IDCHEBI:188258
ChEBI NameTorvoside D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62O13
Net Charge0
Average Mass726.901
Monoisotopic Mass726.41904
SMILESCC1COC2(OC3CC4C5CC(OC6OC(C)C(O)C(OC7OCC(O)C(O)C7O)C6O)C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C(O)C1
InChIInChI=1S/C38H62O13/c1-16-10-27(41)38(47-14-16)17(2)28-26(51-38)13-22-20-12-25(23-11-19(39)6-8-36(23,4)21(20)7-9-37(22,28)5)49-35-32(45)33(29(42)18(3)48-35)50-34-31(44)30(43)24(40)15-46-34/h16-35,39-45H,6-15H2,1-5H3
InChIKeyFOCICMJCJFCWOL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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)
Torvoside D (CHEBI:188258) is a steroid saponin (CHEBI:61655)
IUPAC Name 
2-[2-(3',16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl)oxy-3,5-dihydroxy-6-methyloxan-4-yl]oxyoxane-3,4,5-triol
Manual XrefsDatabases
HMDB0029624HMDB