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CHEBI:171738 - Zucchini factor B

Default Structure
ChEBI IDCHEBI:171738
ChEBI NameZucchini factor B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H57NO4
Net Charge0
Average Mass663.943
Monoisotopic Mass663.42876
SMILESCC1(COC(=O)c2ccccc2)CCC2(C)CCC3(C)C4=CCC5C(C)(CCC(OC(=O)c6ccc(N)cc6)C5(C)C)C4=CCC3(C)C2C1
InChIInChI=1S/C44H57NO4/c1-39(2)34-18-17-33-32(42(34,5)21-20-36(39)49-38(47)30-13-15-31(45)16-14-30)19-22-44(7)35-27-40(3,23-24-41(35,4)25-26-43(33,44)6)28-48-37(46)29-11-9-8-10-12-29/h8-17,19,34-36H,18,20-28,45H2,1-7H3
InChIKeyVKNUHXUEPNYSDN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Zucchini factor B (CHEBI:171738) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[11-(benzoyloxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl] 4-aminobenzoate
Manual XrefsDatabases
35013747ChemSpider
HMDB0034610HMDB