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CHEBI:221020 - CRM646-A

ChEBI IDCHEBI:221020
ChEBI NameCRM646-A
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FormulaC36H50O13
Net Charge0
Average Mass690.783
Monoisotopic Mass690.32514
SMILESCCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1
InChIInChI=1S/C36H50O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-24(48-36-31(41)29(39)30(40)32(49-36)34(44)45)20-26(38)28(22)35(46)47-23-17-21(2)27(33(42)43)25(37)19-23/h17-20,29-32,36-41H,3-16H2,1-2H3,(H,42,43)(H,44,45)/t29-,30-,31+,32-,36+/m0/s1
InChIKeyPNRVAHOSWLWYPO-QJUVDKAYSA-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-A (CHEBI:221020) is a tannin (CHEBI:26848)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[4-(4-carboxy-3-hydroxy-5-methylphenoxy)carbonyl-3-hydroxy-5-pentadecylphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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9673307ChemSpider