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CHEBI:218826 - Citreohybridonol

ChEBI IDCHEBI:218826
ChEBI NameCitreohybridonol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O8
Net Charge0
Average Mass500.588
Monoisotopic Mass500.24102
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(O)[C@]1(C)C(C)=C[C@@H]1[C@]34CC[C@H](OC(C)=O)C(C)(C)C3[C@H](C[C@@]12C)OC4=O
InChIInChI=1S/C28H36O8/c1-13-11-17-25(6,28(23(33)34-8)21(31)14(2)20(30)26(13,28)7)12-16-19-24(4,5)18(35-15(3)29)9-10-27(17,19)22(32)36-16/h11,16-19,30H,9-10,12H2,1-8H3/t16-,17-,18-,19?,25-,26-,27+,28+/m0/s1
InChIKeyMYLOBISKHDRNEW-USNZOBNTSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4039(00)74810-6)
ChEBI Ontology
Outgoing Relation(s)
Citreohybridonol (CHEBI:218826) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (1R,2S,5R,9R,10S,12S,15S)-15-acetyloxy-6-hydroxy-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