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CHEBI:205287 - Aquastatin A

ChEBI IDCHEBI:205287
ChEBI NameAquastatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O12
Net Charge0
Average Mass676.800
Monoisotopic Mass676.34588
SMILESCCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)Oc1cc(C)c(C(=O)O)c(O)c1
InChIInChI=1S/C36H52O12/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-18-25(47-36-33(42)32(41)31(40)28(21-37)48-36)20-27(39)30(23)35(45)46-24-17-22(2)29(34(43)44)26(38)19-24/h17-20,28,31-33,36-42H,3-16,21H2,1-2H3,(H,43,44)/t28-,31+,32+,33-,36-/m1/s1
InChIKeyPAQGKQJWHLLQLF-DIARTVEHSA-N
Species of MetaboliteComponentSourceComments
Fusicolla aquaeductuum (ncbitaxon:1053102) - PubMed (8270486)
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)
Aquastatin A (CHEBI:205287) is a tannin (CHEBI:26848)
IUPAC Name 
2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid
Manual XrefsDatabases
167185ChemSpider