6,6′,9′-trinor-bipenicilisorin (CHEBI:215029)

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CHEBI:215029 - 6,6′,9′-trinor-bipenicilisorin

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ChEBI ID	CHEBI:215029
ChEBI Name	6,6′,9′-trinor-bipenicilisorin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H12O12
Net Charge	0
Average Mass	456.315
Monoisotopic Mass	456.03288
SMILES	COC(=O)c1cc2cc(O)c(-c3c(O)cc4cc(C(=O)O)oc(=O)c4c3O)c(O)c2c(=O)o1
InChI	InChI=1S/C21H12O12/c1-31-19(28)11-5-7-3-9(23)15(17(25)13(7)21(30)33-11)14-8(22)2-6-4-10(18(26)27)32-20(29)12(6)16(14)24/h2-5,22-25H,1H3,(H,26,27)
InChIKey	CMWOSNSYDRYJOE-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	DOI (10.1016/j.phytol.2018.01.010)

ChEBI Ontology

Outgoing Relation(s)
	6,6′,9′-trinor-bipenicilisorin (CHEBI:215029) is a isocoumarins (CHEBI:38758)

IUPAC Name
7-(6,8-dihydroxy-3-methoxycarbonyl-1-oxoisochromen-7-yl)-6,8-dihydroxy-1-oxoisochromene-3-carboxylic acid