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CHEBI:207811 - Isocitreohybridone G

ChEBI IDCHEBI:207811
ChEBI NameIsocitreohybridone G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O7
Net Charge0
Average Mass500.632
Monoisotopic Mass500.27740
SMILESCOC(=O)[C@@]12C(=O)C(C)=C(OC)[C@]1(C)C(C)=CC1[C@]3(C=O)CC[C@H](OC(C)=O)C(C)(C)C3CC[C@@]12C
InChIInChI=1S/C29H40O7/c1-16-14-20-26(6,29(24(33)35-9)22(32)17(2)23(34-8)27(16,29)7)12-10-19-25(4,5)21(36-18(3)31)11-13-28(19,20)15-30/h14-15,19-21H,10-13H2,1-9H3/t19?,20?,21-,26-,27-,28-,29+/m0/s1
InChIKeyCNHGMYPMGVRIPR-ABHNNFMNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Isocitreohybridone G (CHEBI:207811) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (3S,8S,10S,13R,14R)-3-acetyloxy-10-ormyl-17-methoxy-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate
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