Phomodione (CHEBI:197753)

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CHEBI:197753 - Phomodione

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ChEBI ID	CHEBI:197753
ChEBI Name	Phomodione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H22O8
Net Charge	0
Average Mass	390.388
Monoisotopic Mass	390.13147
SMILES	COc1c(C)c(O)c(C(C)=O)c2c1[C@@]1(C)C(=O)C(C(C)=O)C(=O)C[C@@]1(OC)O2
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

Species of Metabolite	Component	Source	Comments
Phomaspecies (ncbitaxon:1707701)	-	PubMed (18070629)

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
78442440	ChemSpider