(3R,4S)-6,8-Dihydroxy-3,4,5,7-tetramethylisochroman (CHEBI:212269)

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CHEBI:212269 - (3R,4S)-6,8-Dihydroxy-3,4,5,7-tetramethylisochroman

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ChEBI ID	CHEBI:212269
ChEBI Name	(3R,4S)-6,8-Dihydroxy-3,4,5,7-tetramethylisochroman
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H18O3
Net Charge	0
Average Mass	222.284
Monoisotopic Mass	222.12559
SMILES	Cc1c(O)c(C)c2c(c1O)CO[C@H](C)[C@H]2C
InChI	InChI=1S/C13H18O3/c1-6-9(4)16-5-10-11(6)7(2)12(14)8(3)13(10)15/h6,9,14-15H,5H2,1-4H3/t6-,9-/m1/s1
InChIKey	WDGGYGTUDYNFNV-HZGVNTEJSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1007/s10600-010-9503-y)

ChEBI Ontology

Outgoing Relation(s)
	(3R,4S)-6,8-Dihydroxy-3,4,5,7-tetramethylisochroman (CHEBI:212269) is a 2-benzopyran (CHEBI:38444)

IUPAC Name
(3R,4S)-3,4,5,7-tetramethyl-3,4-dihydro-1H-isochromene-6,8-diol

Manual Xrefs	Databases
67171406	ChemSpider