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CHEBI:187146 - Physapubescin

ChEBI IDCHEBI:187146
ChEBI NamePhysapubescin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
SMILESCC(=O)OC1CC(C(C)C2CC3(C)OC3(C)C(O)O2)C2(C)CCC3C(CC4OC45C(O)C=CC(=O)C35C)C12
InChIInChI=1S/C30H42O8/c1-14(20-13-27(4)29(6,38-27)25(34)36-20)18-12-19(35-15(2)31)24-16-11-23-30(37-23)22(33)8-7-21(32)28(30,5)17(16)9-10-26(18,24)3/h7-8,14,16-20,22-25,33-34H,9-13H2,1-6H3
InChIKeyQYJHRILRWPBICK-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)
Physapubescin (CHEBI:187146) is a steroid ester (CHEBI:47880)
IUPAC Name 
[6-hydroxy-15-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl)ethyl]-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
Manual XrefsDatabases
HMDB0033796HMDB
74886402ChemSpider