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CHEBI:229122 - Fritillebinide B

ChEBI IDCHEBI:229122
ChEBI NameFritillebinide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H66O4
Net Charge0
Average Mass634.986
Monoisotopic Mass634.49611
SMILESCC(=O)OC1CCC2(C)C3CCC4CC3(CCC2C1(C)C)CC41COC(C2CC34CCC5C(C)(C)CCCC5(C)C3CCC2C4)O1
InChIInChI=1S/C42H66O4/c1-26(43)45-34-15-18-39(7)31(37(34,4)5)14-20-41-22-28(10-12-33(39)41)42(24-41)25-44-35(46-42)29-23-40-19-13-30-36(2,3)16-8-17-38(30,6)32(40)11-9-27(29)21-40/h27-35H,8-25H2,1-7H3
InChIKeySYDUXPBOZNFOTN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Fritillebinide B (CHEBI:229122) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
[5',5',9'-trimethyl-2-(5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl)spiro[1,3-dioxolane-4,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-6'-yl] acetate