3-[2'(R)-hydroxybutyl]-7-hydroxyphthalide (CHEBI:214829)

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CHEBI:214829 - 3-[2'(R)-hydroxybutyl]-7-hydroxyphthalide

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ChEBI ID	CHEBI:214829
ChEBI Name	3-[2'(R)-hydroxybutyl]-7-hydroxyphthalide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O4
Net Charge	0
Average Mass	222.240
Monoisotopic Mass	222.08921
SMILES	CC[C@@H](O)C[C@@H]1OC(=O)c2c(O)cccc21
InChI	InChI=1S/C12H14O4/c1-2-7(13)6-10-8-4-3-5-9(14)11(8)12(15)16-10/h3-5,7,10,13-14H,2,6H2,1H3/t7-,10+/m1/s1
InChIKey	UPTYIXWDMPCKFE-XCBNKYQSSA-N

Species of Metabolite	Component	Source	Comments
Penicillium vulpinum (ncbitaxon:29845)	-	DOI (10.1007/s10600-015-1214-y)

ChEBI Ontology

Outgoing Relation(s)
	3-[2'(R)-hydroxybutyl]-7-hydroxyphthalide (CHEBI:214829) is a benzofurans (CHEBI:35259)

IUPAC Name
(3S)-7-hydroxy-3-[(2R)-2-hydroxybutyl]-3H-2-benzouran-1-one

Manual Xrefs	Databases
35516631	ChemSpider