CHEBI:227198 - Ochraceopone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ochraceopone A
ChEBI ID CHEBI:227198
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H30O9
Net Charge 0
Average Mass 450.484
Monoisotopic Mass 450.18898
InChI InChI=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
InChIKey JXTDSIMFZWZYOR-BISPMEEDSA-N
SMILES O=C1OC(=C(C)C2=C1[C@H](OC)[C@@H]3[C@H]([C@]4(O)CC(=O)C(C([C@]4([C@H]([C@]3(O2)C)O)O)=O)(C)C)C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
58914974 ChemSpider
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