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CHEBI:186158 - HAVANENSIN TRIACETATE

ChEBI IDCHEBI:186158
ChEBI NameHAVANENSIN TRIACETATE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O8
Net Charge0
Average Mass556.696
Monoisotopic Mass556.30362
SMILESCC(=O)OC1CC(OC(C)=O)C2(C)C(CC(OC(C)=O)C3(C)C2CCC2(C)C(c4ccoc4)CC4OC423)C1(C)C
InChIInChI=1S/C32H44O8/c1-17(33)37-24-15-25(38-18(2)34)30(7)22-9-11-29(6)21(20-10-12-36-16-20)13-27-32(29,40-27)31(22,8)26(39-19(3)35)14-23(30)28(24,4)5/h10,12,16,21-27H,9,11,13-15H2,1-8H3
InChIKeyNZLGSHIHKTYCHX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
HAVANENSIN TRIACETATE (CHEBI:186158) is a limonoid (CHEBI:39434)
IUPAC Name 
[12,14-diacetyloxy-6-(uran-3-yl)-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-18-yl] acetate
Manual XrefsDatabases
2753332ChemSpider