Trans-3,4-Dihydroxy-3,4-dihydro-anofinic acid (CHEBI:224766)

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CHEBI:224766 - Trans-3,4-Dihydroxy-3,4-dihydro-anofinic acid

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ChEBI ID	CHEBI:224766
ChEBI Name	Trans-3,4-Dihydroxy-3,4-dihydro-anofinic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O5
Net Charge	0
Average Mass	238.239
Monoisotopic Mass	238.08412
SMILES	CC1(C)Oc2ccc(C(=O)O)cc2[C@@H](O)[C@@H]1O
InChI	InChI=1S/C12H14O5/c1-12(2)10(14)9(13)7-5-6(11(15)16)3-4-8(7)17-12/h3-5,9-10,13-14H,1-2H3,(H,15,16)/t9-,10+/m1/s1
InChIKey	ZZKTVVTWOFEGLU-ZJUUUORDSA-N

Species of Metabolite	Component	Source	Comments
Curvularia (ncbitaxon:5502)	-	DOI (10.1016/0031-9422(90)85203-r)

ChEBI Ontology

Outgoing Relation(s)
	Trans-3,4-Dihydroxy-3,4-dihydro-anofinic acid (CHEBI:224766) is a 1-benzopyran (CHEBI:38443)

IUPAC Name
(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid

Manual Xrefs	Databases
78441418	ChemSpider