CHEBI:197753 - Phomodione

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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 Phomodione
ChEBI ID CHEBI:197753
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H22O8
Net Charge 0
Average Mass 390.388
Monoisotopic Mass 390.13147
InChI InChI=1S/C20H22O8/c1-8-15(24)13(10(3)22)17-14(16(8)26-5)19(4)18(25)12(9(2)21)11(23)7-20(19,27-6)28-17/h12,24H,7H2,1-6H3/t12?,19-,20+/m0/s1
InChIKey SBCSGCNJMDGECZ-IWSJWDQHSA-N
SMILES O=C1[C@@]2(C3=C(OC)C(=C(O)C(=C3O[C@]2(OC)CC(C1C(=O)C)=O)C(=O)C)C)C
Metabolite of Species Details
Phomaspecies (NCBI:txid1707701) See: PubMed
ChEBI Ontology
Outgoing Phomodione (CHEBI:197753) is a acetophenones (CHEBI:22187)
IUPAC Name
(4aR,9bS)-2,6-diacetyl-7-hydroxy-4a,9-dimethoxy-8,9b-dimethyl-4H-dibenzouran-1,3-dione
Manual Xref Database
78442440 ChemSpider
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