EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166663 - Emblicanin A

ChEBI IDCHEBI:166663
ChEBI NameEmblicanin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H22O22
Net Charge0
Average Mass782.528
Monoisotopic Mass782.06027
SMILESO=C1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(OC(=O)c2cc(O)c(O)c(O)c2)=C1OC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C34H22O22/c35-12-1-8(2-13(36)21(12)41)30(47)55-28-27-18(53-34(51)29(28)56-31(48)9-3-14(37)22(42)15(38)4-9)7-52-32(49)10-5-16(39)23(43)25(45)19(10)20-11(33(50)54-27)6-17(40)24(44)26(20)46/h1-6,18,27,35-46H,7H2
InChIKeyUEHSSTYZXFBDNL-UHFFFAOYSA-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)
Emblicanin A (CHEBI:166663) is a tannin (CHEBI:26848)
IUPAC Name 
[3,4,5,21,22,23-hexahydroxy-8,13,18-trioxo-12-(3,4,5-trihydroxybenzoyl)oxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,11,19,21-heptaen-11-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
7986670ChemSpider
HMDB0030437HMDB