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CHEBI:6658 - Mallotusinic acid

ChEBI IDCHEBI:6658
ChEBI NameMallotusinic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC48H32O32
Net Charge0
Average Mass1120.752
Monoisotopic Mass1120.08767
SMILESO=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(cc(Oc5c(C(=O)O)cc(O)c(O)c5O)c(O)c4O)C(=O)OC[C@H]2O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3OC(=O)c2cc(O)c(O)c3c2[C@@H]2C1=CC(=O)[C@](O)(O3)C2(O)O
InChIInChI=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
InChIKeyIHHYLDUUGFQCFR-PDRZNIRRSA-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)
Mallotusinic acid (CHEBI:6658) is a tannin (CHEBI:26848)
Synonym  Source
Mallotusinic acidKEGG COMPOUND
Manual XrefsDatabases
C10235KEGG COMPOUND
C00002931KNApSAcK
Registry NumbersSources
CAS:66421-47-4KEGG COMPOUND