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CHEBI:227198 - Ochraceopone A

ChEBI IDCHEBI:227198
ChEBI NameOchraceopone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O9
Net Charge0
Average Mass450.484
Monoisotopic Mass450.18898
SMILESCO[C@H]1c2c(c(C)c(C)oc2=O)O[C@@]2(C)[C@H]1[C@@H](C)[C@]1(O)CC(=O)C(C)(C)C(=O)[C@@]1(O)[C@H]2O
InChIInChI=1S/C23H30O9/c1-9-11(3)31-17(25)13-15(9)32-21(6)14(16(13)30-7)10(2)22(28)8-12(24)20(4,5)18(26)23(22,29)19(21)27/h10,14,16,19,27-29H,8H2,1-7H3/t10-,14+,16+,19+,21+,22-,23-/m1/s1
InChIKeyJXTDSIMFZWZYOR-BISPMEEDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (26697718)
ChEBI Ontology
Outgoing Relation(s)
Ochraceopone A (CHEBI:227198) is a organic heterotricyclic compound (CHEBI:26979)
Ochraceopone A (CHEBI:227198) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,9R,10S,11R,12R,17R,18R)-12,17,18-trihydroxy-9-methoxy-1,4,5,11,15,15-hexamethyl-2,6-dioxatetracyclo[8.8.0.03,8.012,17]octadeca-3(8),4-diene-7,14,16-trione
Manual XrefsDatabases
58914974ChemSpider