6-[2,3-dihydroxy-5-({[4-hydroxy-6-(hydroxymethyl)-3,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184541)

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CHEBI:184541 - 6-[2,3-dihydroxy-5-({[4-hydroxy-6-(hydroxymethyl)-3,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:184541
ChEBI Name	6-[2,3-dihydroxy-5-({[4-hydroxy-6-(hydroxymethyl)-3,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C33H32O24
Net Charge	0
Average Mass	812.595
Monoisotopic Mass	812.12835
SMILES	O=C(OC1OC(CO)C(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI	InChI=1S/C33H32O24/c34-7-17-25(54-29(49)8-1-11(35)18(40)12(36)2-8)24(46)27(55-30(50)9-3-13(37)19(41)14(38)4-9)33(53-17)57-31(51)10-5-15(39)20(42)16(6-10)52-32-23(45)21(43)22(44)26(56-32)28(47)48/h1-6,17,21-27,32-46H,7H2,(H,47,48)
InChIKey	NNLQIXGUZALYSA-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Bos taurus (ncbitaxon:9913)	spermatozoon (BTO:0001277)	MetaboLights (MTBLS1071)	Strain: Holstein [LBO:0000132]

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)
	6-[2,3-dihydroxy-5-({[4-hydroxy-6-(hydroxymethyl)-3,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]oxy}carbonyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184541) is a tannin (CHEBI:26848)

IUPAC Name
6-[2,3-dihydroxy-5-[4-hydroxy-6-(hydroxymethyl)-3,5-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]oxycarbonylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0134176	HMDB