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CHEBI:202193 - Citreohybridone E

ChEBI IDCHEBI:202193
ChEBI NameCitreohybridone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O8
Net Charge0
Average Mass514.615
Monoisotopic Mass514.25667
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(OC)[C@]1(C)C(C)=CC1[C@]34CC[C@H](OC(C)=O)C(C)(C)C3[C@H](C[C@@]12C)OC4=O
InChIInChI=1S/C29H38O8/c1-14-12-18-26(6,29(24(33)35-9)21(31)15(2)22(34-8)27(14,29)7)13-17-20-25(4,5)19(36-16(3)30)10-11-28(18,20)23(32)37-17/h12,17-20H,10-11,13H2,1-9H3/t17-,18?,19-,20?,26-,27-,28+,29+/m0/s1
InChIKeyQNHOLCTZVWNAQW-GQSKQXEDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Citreohybridone E (CHEBI:202193) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (1R,5R,9R,10S,12S,15S)-15-acetyloxy-6-methoxy-4,5,7,10,14,14-hexamethyl-8,18-dioxo-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadeca-3,6-diene-9-carboxylate
Manual XrefsDatabases
78443556ChemSpider