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 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
ChEBI ID CHEBI:184541
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H32O24
Net Charge 0
Average Mass 812.595
Monoisotopic Mass 812.12835
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
SMILES O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C1OC(=O)C=4C=C(OC5OC(C(O)C(O)C5O)C(O)=O)C(O)=C(O)C4)CO
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0134176 HMDB
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