Parmosidone I (CHEBI:213426)

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CHEBI:213426 - Parmosidone I

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ChEBI ID	CHEBI:213426
ChEBI Name	Parmosidone I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H22O13
Net Charge	0
Average Mass	566.471
Monoisotopic Mass	566.10604
SMILES	COC(=O)c1c(C)c(Cc2c(O)c(C(=O)O)c(C)c3c2OC(=O)c2c(C)cc(O)c(C=O)c2O3)c(O)c(C=O)c1O
InChI	InChI=1S/C28H22O13/c1-9-5-16(31)14(7-29)24-17(9)28(38)41-25-13(21(33)18(26(35)36)11(3)23(25)40-24)6-12-10(2)19(27(37)39-4)22(34)15(8-30)20(12)32/h5,7-8,31-34H,6H2,1-4H3,(H,35,36)
InChIKey	INHPMDSWWKTLAJ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Parmotrema (ncbitaxon:172634)	-	PubMed (32483775)

ChEBI Ontology

Outgoing Relation(s)
	Parmosidone I (CHEBI:213426) is a carbonyl compound (CHEBI:36586)

IUPAC Name
10-ormyl-4-[(3-ormyl-2,4-dihydroxy-5-methoxycarbonyl-6-methylphenyl)methyl]-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid