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CHEBI:199649 - (3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

ChEBI IDCHEBI:199649
ChEBI Name(3-heptyl-5-hydroxyphenyl) 2-heptyl-4-hydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48O10
Net Charge0
Average Mass604.737
Monoisotopic Mass604.32475
SMILESCCCCCCCc1cc(O)cc(OC(=O)c2c(CCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=1S/C33H48O10/c1-3-5-7-9-11-13-21-15-23(35)18-25(16-21)41-32(40)28-22(14-12-10-8-6-4-2)17-24(36)19-26(28)42-33-31(39)30(38)29(37)27(20-34)43-33/h15-19,27,29-31,33-39H,3-14,20H2,1-2H3/t27-,29+,30+,31-,33-/m1/s1
InChIKeyBOTABODRPOJDQC-FLHDZCCQSA-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-(hydroxymethyl)oxan-2-yl]oxybenzoate (CHEBI:199649) 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-(hydroxymethyl)oxan-2-yl]oxybenzoate
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24689719ChemSpider