5-chloro-2'-O-methylanziaic acid (CHEBI:202346)

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CHEBI:202346 - 5-chloro-2'-O-methylanziaic acid

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ChEBI ID	CHEBI:202346
ChEBI Name	5-chloro-2'-O-methylanziaic acid
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Submitter	MetaboLights
Downloads	Molfile

Formula	C25H31ClO7
Net Charge	0
Average Mass	478.969
Monoisotopic Mass	478.17583
SMILES	CCCCCc1cc(OC(=O)c2c(O)cc(O)c(Cl)c2CCCCC)cc(OC)c1C(=O)O
InChI	InChI=1S/C25H31ClO7/c1-4-6-8-10-15-12-16(13-20(32-3)21(15)24(29)30)33-25(31)22-17(11-9-7-5-2)23(26)19(28)14-18(22)27/h12-14,27-28H,4-11H2,1-3H3,(H,29,30)
InChIKey	OJVOQGWIFJVORR-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Lecanora lividocinerea (ncbitaxon:742147)	-	DOI (10.1071/c97052)

ChEBI Ontology

Outgoing Relation(s)
	5-chloro-2'-O-methylanziaic acid (CHEBI:202346) is a carbonyl compound (CHEBI:36586)

IUPAC Name
4-(3-chloro-4,6-dihydroxy-2-pentylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid

Manual Xrefs	Databases
78435437	ChemSpider