CHEBI:6065 - Isoterchebin

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ChEBI Name Isoterchebin
ChEBI ID CHEBI:6065
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C41H30O27
Net Charge 0
Average Mass 954.662
Monoisotopic Mass 954.09745
InChI InChI=1S/C41H30O27/c42-15-1-10(2-16(43)26(15)50)34(54)65-32-30-22(9-62-37(57)14-8-23(49)41(61)40(59,60)25(14)24-13(38(58)64-30)7-21(48)29(53)31(24)68-41)63-39(67-36(56)12-5-19(46)28(52)20(47)6-12)33(32)66-35(55)11-3-17(44)27(51)18(45)4-11/h1-8,22,25,30,32-33,39,42-48,50-53,59-61H,9H2/t22-,25-,30-,32+,33-,39+,41-/m1/s1
InChIKey QFJVFTCFAZSXCY-KUZSCSPXSA-N
SMILES Oc1cc(cc(O)c1O)C(=O)O[C@@H]1O[C@@H]2COC(=O)C3=CC(=O)[C@@]4(O)Oc5c(O)c(O)cc(c5[C@@H]3C4(O)O)C(=O)O[C@H]2[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1OC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Isoterchebin (CHEBI:6065) is a tannin (CHEBI:26848)
Synonyms Sources
Isoterchebin KEGG COMPOUND
Trapain KEGG COMPOUND
Manual Xrefs Databases
C00002928 KNApSAcK
C10232 KEGG COMPOUND
View more database links
Registry Number Type Source
58690-20-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014