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CHEBI:167698 - Lagerstannin B

ChEBI IDCHEBI:167698
ChEBI NameLagerstannin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H26O27
Net Charge0
Average Mass950.632
Monoisotopic Mass950.06615
SMILESO=C1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C2OC(=O)c3c(c(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)OC2C(=O)O)-c2cc1c(O)c(O)c2O
InChIInChI=1S/C41H26O27/c42-11-2-7-16(26(50)23(11)47)17-8(3-12(43)24(48)27(17)51)38(60)66-33-14(5-64-37(7)59)65-40(62)10-1-6(21(45)31(55)22(10)46)15-20-19(30(54)32(56)29(15)53)18-9(4-13(44)25(49)28(18)52)39(61)68-35(36(57)58)34(33)67-41(20)63/h1-4,14,33-35,42-56H,5H2,(H,57,58)
InChIKeyKBYFJXDVZWTLIU-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)
Lagerstannin B (CHEBI:167698) is a tannin (CHEBI:26848)
IUPAC Name 
7,8,9,12,13,14,24,25,26,29,30,31,34,35,36-pentadecahydroxy-4,17,22,39,43-pentaoxo-3,18,21,40,42-pentaoxaoctacyclo[26.13.3.123,27.02,20.05,10.011,16.032,44.033,38]pentatetraconta-5,7,9,11,13,15,23,25,27(45),28(44),29,31,33,35,37-pentadecaene-41-carboxylic acid