3,5-dichloro-2'-O-methylnorstenosporic acid (CHEBI:198191)

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CHEBI:198191 - 3,5-dichloro-2'-O-methylnorstenosporic acid

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ChEBI ID	CHEBI:198191
ChEBI Name	3,5-dichloro-2'-O-methylnorstenosporic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H26Cl2O7
Net Charge	0
Average Mass	485.360
Monoisotopic Mass	484.10556
SMILES	CCCCCc1cc(OC(=O)c2c(O)c(Cl)c(O)c(Cl)c2CCC)cc(OC)c1C(=O)O
InChI	InChI=1S/C23H26Cl2O7/c1-4-6-7-9-12-10-13(11-15(31-3)16(12)22(28)29)32-23(30)17-14(8-5-2)18(24)21(27)19(25)20(17)26/h10-11,26-27H,4-9H2,1-3H3,(H,28,29)
InChIKey	OOUWKIKXHBTLMQ-UHFFFAOYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	3,5-dichloro-2'-O-methylnorstenosporic acid (CHEBI:198191) is a carbonyl compound (CHEBI:36586)

IUPAC Name
4-(3,5-dichloro-2,4-dihydroxy-6-propylbenzoyl)oxy-2-methoxy-6-pentylbenzoic acid

Manual Xrefs	Databases
78435416	ChemSpider