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CHEBI:176702 - Emblicanin B

ChEBI IDCHEBI:176702
ChEBI NameEmblicanin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H20O22
Net Charge0
Average Mass780.512
Monoisotopic Mass780.04462
SMILES[H][C@@]12COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@@]1([H])c1oc(=O)c3cc(O)c(O)c(O)c3c3c(O)c(O)c(O)cc3c(=O)oc1C(=O)O2
InChIInChI=1S/C34H20O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27,35-46H,5H2/t14-,27-/m1/s1
InChIKeyJNSDMRUXOVAXNP-LOKFHWFJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
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 B (CHEBI:176702) is a tannin (CHEBI:26848)
IUPAC Name 
(1R,22R)-7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.02,19.05,10.011,16.026,31.032,37]nonatriaconta-2(19),5,7,9,11,13,15,26,28,30,32,34,36-tridecaene-4,17,20,25,38-pentone
Manual XrefsDatabases
52085824ChemSpider
Registry NumbersSources
CAS:180465-45-6ChemIDplus