7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan (CHEBI:190107)

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CHEBI:190107 - 7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan

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ChEBI ID	CHEBI:190107
ChEBI Name	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H22O5
Net Charge	0
Average Mass	354.402
Monoisotopic Mass	354.14672
SMILES	COc1cc2c(c3c1C[C@H](O)[C@@H](c1ccc(O)cc1)O3)C=CC(C)(C)O2
InChI	InChI=1S/C21H22O5/c1-21(2)9-8-14-18(26-21)11-17(24-3)15-10-16(23)19(25-20(14)15)12-4-6-13(22)7-5-12/h4-9,11,16,19,22-23H,10H2,1-3H3/t16-,19+/m0/s1
InChIKey	LSOMOCKNPBFMAK-QFBILLFUSA-N

Species of Metabolite	Component	Source	Comments
Brassica napus (ncbitaxon:3708)	flower (BTO:0000469)	MetaboLights (MTBLS3950)

ChEBI Ontology

Outgoing Relation(s)
	7,8-(2,2-Dimethylpyrano)-3,4'-dihydroxy-5-methoxyflavan (CHEBI:190107) is a extended flavonoid (CHEBI:71037)

IUPAC Name
(2R,3S)-2-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-]chromen-3-ol

Manual Xrefs	Databases
LMPK12020137	LIPID MAPS
24842576	ChemSpider