CHEBI:6658 - Mallotusinic acid

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ChEBI Name Mallotusinic acid
ChEBI ID CHEBI:6658
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C48H32O32
Net Charge 0
Average Mass 1120.750
Monoisotopic Mass 1120.08767
InChI InChI=1S/C48H32O32/c49-15-1-9(2-16(50)27(15)55)41(65)79-46-39-38-36(76-45(69)13-7-22(54)48(72)47(70,71)26(13)25-11(44(68)78-39)4-19(53)30(58)37(25)80-48)21(75-46)8-73-42(66)12-6-20(74-35-14(40(63)64)5-18(52)29(57)34(35)62)31(59)33(61)24(12)23-10(43(67)77-38)3-17(51)28(56)32(23)60/h1-7,21,26,36,38-39,46,49-53,55-62,70-72H,8H2,(H,63,64)/t21-,26+,36-,38+,39-,46+,48+/m1/s1
InChIKey IHHYLDUUGFQCFR-PDRZNIRRSA-N
SMILES OC(=O)c1cc(O)c(O)c(O)c1Oc1cc2c(c(O)c1O)-c1c(O)c(O)c(O)cc1C(=O)O[C@H]1[C@@H]3OC(=O)C4=CC(=O)[C@]5(O)Oc6c(O)c(O)cc(c6[C@H]4C5(O)O)C(=O)O[C@H]1[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@@H]3COC2=O
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 Mallotusinic acid (CHEBI:6658) is a tannin (CHEBI:26848)
Synonym Source
Mallotusinic acid KEGG COMPOUND
Manual Xrefs Databases
C00002931 KNApSAcK
C10235 KEGG COMPOUND
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Registry Number Type Source
66421-47-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014