Decarboxy-2′-O-methyldivaricatic acid (CHEBI:209040)

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CHEBI:209040 - Decarboxy-2′-O-methyldivaricatic acid

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ChEBI ID	CHEBI:209040
ChEBI Name	Decarboxy-2′-O-methyldivaricatic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H26O5
Net Charge	0
Average Mass	358.434
Monoisotopic Mass	358.17802
SMILES	CCCc1cc(OC)cc(OC(=O)c2c(O)cc(OC)cc2CCC)c1
InChI	InChI=1S/C21H26O5/c1-5-7-14-9-16(24-3)12-18(10-14)26-21(23)20-15(8-6-2)11-17(25-4)13-19(20)22/h9-13,22H,5-8H2,1-4H3
InChIKey	JKMXDCXIFDAEJT-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Xanthoparmelia (ncbitaxon:111621)	-	DOI (10.1071/c97091)

ChEBI Ontology

Outgoing Relation(s)
	Decarboxy-2′-O-methyldivaricatic acid (CHEBI:209040) is a carbonyl compound (CHEBI:36586)

IUPAC Name
(3-methoxy-5-propylphenyl) 2-hydroxy-4-methoxy-6-propylbenzoate

Manual Xrefs	Databases
78435524	ChemSpider