Guisinol (CHEBI:201987)

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CHEBI:201987 - Guisinol

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ChEBI ID	CHEBI:201987
ChEBI Name	Guisinol
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Submitter	MetaboLights
Downloads	Molfile

Formula	C23H25ClO5
Net Charge	0
Average Mass	416.901
Monoisotopic Mass	416.13905
SMILES	C/C=C(\C)c1cc(O)c(C)c(OC(=O)c2c(O)c(C)c(O)c(Cl)c2/C(C)=C/C)c1
InChI	InChI=1S/C23H25ClO5/c1-7-11(3)15-9-16(25)13(5)17(10-15)29-23(28)19-18(12(4)8-2)20(24)22(27)14(6)21(19)26/h7-10,25-27H,1-6H3/b11-7+,12-8+
InChIKey	AEQBAXLIEJZXPN-MKICQXMISA-N

Species of Metabolite	Component	Source	Comments
Aspergillus unguis (ncbitaxon:40381)	-	DOI (10.1016/s0031-9422(98)00517-2)

ChEBI Ontology

Outgoing Relation(s)
	Guisinol (CHEBI:201987) is a carbonyl compound (CHEBI:36586)

IUPAC Name
[5-[(E)-but-2-en-2-yl]-3-hydroxy-2-methylphenyl] 2-[(E)-but-2-en-2-yl]-3-chloro-4,6-dihydroxy-5-methylbenzoate

Manual Xrefs	Databases
8844977	ChemSpider