CHEBI:81154 - Mallotinic acid

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ChEBI Name Mallotinic acid
ChEBI ID CHEBI:81154
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H26O23
Net Charge 0
Average Mass 802.55640
Monoisotopic Mass 802.08649
InChI InChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49)/t16-,23-,27-,29+,34+/m1/s1
InChIKey AJIFASHLGBHDDS-GEFDNOIESA-N
SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(Oc4c(O)c(O)c(O)cc4C(O)=O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2
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 Mallotinic acid (CHEBI:81154) is a tannin (CHEBI:26848)
Manual Xref Database
C17521 KEGG COMPOUND
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Registry Number Type Source
66369-82-2 CAS Registry Number KEGG COMPOUND