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CHEBI:92060 - benzoic acid [(2R,3S)-5,7-dibenzoyloxy-2-(3,4-dibenzoyloxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester

ChEBI IDCHEBI:92060
ChEBI Namebenzoic acid [(2R,3S)-5,7-dibenzoyloxy-2-(3,4-dibenzoyloxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester
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DownloadsMolfile
FormulaC50H34O11
Net Charge0
Average Mass810.811
Monoisotopic Mass810.21011
SMILESO=C(Oc1cc(OC(=O)c2ccccc2)c2c(c1)O[C@H](c1ccc(OC(=O)c3ccccc3)c(OC(=O)c3ccccc3)c1)[C@@H](OC(=O)c1ccccc1)C2)c1ccccc1
InChIInChI=1S/C50H34O11/c51-46(32-16-6-1-7-17-32)56-38-29-41-39(42(30-38)59-48(53)34-20-10-3-11-21-34)31-44(61-50(55)36-24-14-5-15-25-36)45(57-41)37-26-27-40(58-47(52)33-18-8-2-9-19-33)43(28-37)60-49(54)35-22-12-4-13-23-35/h1-30,44-45H,31H2/t44-,45+/m0/s1
InChIKeyRFKGHGMSJVVYTB-YWPUXERESA-N
Roles Classification
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
benzoic acid [(2R,3S)-5,7-dibenzoyloxy-2-(3,4-dibenzoyloxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester (CHEBI:92060) is a tannin (CHEBI:26848)
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