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CHEBI:215243 - CRM646-B

ChEBI IDCHEBI:215243
ChEBI NameCRM646-B
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FormulaC37H52O13
Net Charge0
Average Mass704.810
Monoisotopic Mass704.34079
SMILESCCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1
InChIInChI=1S/C37H52O13/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-19-25(49-37-32(42)30(40)31(41)33(50-37)36(46)47-3)21-27(39)29(23)35(45)48-24-18-22(2)28(34(43)44)26(38)20-24/h18-21,30-33,37-42H,4-17H2,1-3H3,(H,43,44)/t30-,31-,32+,33-,37+/m0/s1
InChIKeySTVGNKQOIYIMAK-IFOJLSRYSA-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)
CRM646-B (CHEBI:215243) is a tannin (CHEBI:26848)
IUPAC Name 
2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid
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