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

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ChEBI Name benzoic acid [(2R,3S)-5,7-dibenzoyloxy-2-(3,4-dibenzoyloxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester
ChEBI ID CHEBI:92060
Stars This entity has been manually annotated by a third party.
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Formula C50H34O11
Net Charge 0
Average Mass 810.800
Monoisotopic Mass 810.21011
InChI InChI=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
InChIKey RFKGHGMSJVVYTB-YWPUXERESA-N
SMILES C1[C@@H]([C@H](OC2=CC(=CC(=C21)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC(=C(C=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8
Roles Classification
Application(s): astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via tannin )
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ChEBI Ontology
Outgoing 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)
Manual Xref Database
LSM-2051 LINCS
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