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CHEBI:211968 - (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate

ChEBI IDCHEBI:211968
ChEBI Name(3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H58O15
Net Charge0
Average Mass766.878
Monoisotopic Mass766.37757
SMILESCCCCCCCc1cc(O)cc(OC(=O)c2c(CCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C39H58O15/c1-3-5-7-9-11-13-22-15-24(41)18-26(16-22)51-37(49)30-23(14-12-10-8-6-4-2)17-25(42)19-27(30)52-39-36(48)34(46)32(44)29(54-39)21-50-38-35(47)33(45)31(43)28(20-40)53-38/h15-19,28-29,31-36,38-48H,3-14,20-21H2,1-2H3/t28-,29-,31+,32+,33+,34+,35-,36-,38-,39-/m1/s1
InChIKeyFTTHHGZRBOOVTE-WNQXWLONSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies BCC 14080 (ncbitaxon:523340) - PubMed (18363379)
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)
(3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate (CHEBI:211968) is a tannin (CHEBI:26848)
IUPAC Name 
(3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxybenzoate
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