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CHEBI:180727 - Bicornin

ChEBI IDCHEBI:180727
ChEBI NameBicornin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H32O30
Net Charge0
Average Mass1088.754
Monoisotopic Mass1088.09784
SMILES[H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3Oc3c(O)cc4c(=O)oc5c(O)c(O)cc(c5c4c3O)C(=O)O[C@@]1([H])[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2
InChIInChI=1S/C48H32O30/c49-17-1-11(2-18(50)29(17)58)42(65)76-40-38-26(72-48(78-44(67)13-5-21(53)31(60)22(54)6-13)41(40)77-43(66)12-3-19(51)30(59)20(52)4-12)10-71-45(68)16-9-23(55)32(61)35(64)36(16)73-37-25(57)8-14-27(34(37)63)28-15(47(70)74-38)7-24(56)33(62)39(28)75-46(14)69/h1-9,26,38,40-41,48-64H,10H2/t26-,38-,40-,41-,48+/m1/s1
InChIKeyDOTJYWQAPHIAIF-TWNAEOARSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
Bicornin (CHEBI:180727) is a tannin (CHEBI:26848)
IUPAC Name 
[(12R,14S,15R,16R,17R)-4,5,6,22,23,29,30-heptahydroxy-9,19,26-trioxo-14,15-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,10,13,18,25-pentaoxahexacyclo[18.9.3.03,8.012,17.024,32.027,31]dotriaconta-1(29),3,5,7,20,22,24(32),27,30-nonaen-16-yl] 3,4,5-trihydroxybenzoate
Manual XrefsDatabases
28190824ChemSpider