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CHEBI:214650 - Ascotricin A

Default Structure
ChEBI IDCHEBI:214650
ChEBI NameAscotricin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O11
Net Charge0
Average Mass534.558
Monoisotopic Mass534.21011
SMILESCCCCCc1cc(O)cc(OC(=O)c2c(CCC)cc(O)cc2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C27H34O11/c1-3-5-6-8-14-9-16(28)12-18(10-14)36-26(35)20-15(7-4-2)11-17(29)13-19(20)37-27-23(32)21(30)22(31)24(38-27)25(33)34/h9-13,21-24,27-32H,3-8H2,1-2H3,(H,33,34)/t21-,22+,23+,24-,27+/m0/s1
InChIKeyJNOJSCYIQCAMEB-QEXRHJMMSA-N
Species of MetaboliteComponentSourceComments
Ascotricha (ncbitaxon:79810) - PubMed (19461671)
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)
Ascotricin A (CHEBI:214650) is a tannin (CHEBI:26848)
IUPAC Name 
(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(3-hydroxy-5-pentylphenoxy)carbonyl-3-propylphenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
78438589ChemSpider