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CHEBI:216115 - Ascotricin B

ChEBI IDCHEBI:216115
ChEBI NameAscotricin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O11
Net Charge0
Average Mass562.612
Monoisotopic Mass562.24141
SMILESCCCCCc1cc(O)cc(OC(=O)c2c(CCCCC)cc(O)cc2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C29H38O11/c1-3-5-7-9-16-11-18(30)14-20(12-16)38-28(37)22-17(10-8-6-4-2)13-19(31)15-21(22)39-29-25(34)23(32)24(33)26(40-29)27(35)36/h11-15,23-26,29-34H,3-10H2,1-2H3,(H,35,36)/t23-,24+,25+,26-,29+/m0/s1
InChIKeyCDVSTZXXDMGJKX-MQYJMQNVSA-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 B (CHEBI:216115) 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-pentylphenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
78438108ChemSpider