CHEBI:3584 - Chebulinic acid

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ChEBI Name Chebulinic acid
ChEBI ID CHEBI:3584
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H32O27
Net Charge 0
Average Mass 956.678
Monoisotopic Mass 956.11310
InChI InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30-,31+,33-,34+,41-/m0/s1
InChIKey YGVHOSGNOYKRIH-FJPMMHPYSA-N
SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@@H](COC(=O)c4cc(O)c(O)c(O)c4)O[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](OC(=O)c4cc(O)c(O)c(OC1=O)c24)[C@H]3OC(=O)c1cc(O)c(O)c(O)c1
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 Chebulinic acid (CHEBI:3584) is a tannin (CHEBI:26848)
Synonym Source
Chebulinic acid KEGG COMPOUND
Manual Xrefs Databases
C00002912 KNApSAcK
C10215 KEGG COMPOUND
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Registry Number Type Source
18942-26-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014