Degalloyltheaflavonin (CHEBI:190070)

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CHEBI:190070 - Degalloyltheaflavonin

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ChEBI ID	CHEBI:190070
ChEBI Name	Degalloyltheaflavonin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C36H32O20
Net Charge	0
Average Mass	784.632
Monoisotopic Mass	784.14869
SMILES	O=c1c(OC2OC(CO)C(O)C(O)C2O)c(-c2cc(O)c(O)c(O)c2-c2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c2O)oc2cc(O)cc(O)c12
InChI	InChI=1S/C36H32O20/c37-8-21-27(47)31(51)32(52)36(55-21)56-35-30(50)24-15(41)2-10(39)4-20(24)54-34(35)13-7-17(43)26(46)29(49)23(13)22-12(6-16(42)25(45)28(22)48)33-18(44)5-11-14(40)1-9(38)3-19(11)53-33/h1-4,6-7,18,21,27,31-33,36-49,51-52H,5,8H2
InChIKey	KJHVUKFVUVEKRC-UHFFFAOYSA-N

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

Roles Classification

astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.

ChEBI Ontology

Outgoing Relation(s)
	Degalloyltheaflavonin (CHEBI:190070) is a tannin (CHEBI:26848)

IUPAC Name
5,7-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[3,4,5-trihydroxy-2-[2,3,4-trihydroxy-6-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl]phenyl]chromen-4-one

Manual Xrefs	Databases
HMDB0040548	HMDB