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CHEBI:204399 - Citreohybridone K

ChEBI IDCHEBI:204399
ChEBI NameCitreohybridone K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O10
Net Charge0
Average Mass560.640
Monoisotopic Mass560.26215
SMILESCOC(=O)[C@@]12[C@@H]3O[C@@]4(C=C(C)[C@@]1(C)[C@@H](OC(C)=O)[C@@]3(C)O)[C@]2(C)C[C@@H]1OC(=O)[C@]42CC[C@H](OC(C)=O)C(C)(C)C12
InChIInChI=1S/C30H40O10/c1-14-12-29-25(6,13-17-19-24(4,5)18(37-15(2)31)10-11-28(19,29)22(33)39-17)30(23(34)36-9)21(40-29)27(8,35)20(26(14,30)7)38-16(3)32/h12,17-21,35H,10-11,13H2,1-9H3/t17-,18-,19?,20+,21+,25-,26-,27+,28+,29-,30+/m0/s1
InChIKeyZQXFXWHQLCPIFT-IVXGRDPASA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/s0040-4020(03)00739-7)
ChEBI Ontology
Outgoing Relation(s)
Citreohybridone K (CHEBI:204399) is a steroid ester (CHEBI:47880)
IUPAC Name 
methyl (1S,2S,5R,6R,7S,8S,9S,10R,12S,15S)-6,15-diacetyloxy-7-hydroxy-4,5,7,10,14,14-hexamethyl-18-oxo-19,20-dioxahexacyclo[10.5.2.12,8.01,13.02,10.05,9]icos-3-ene-9-carboxylate