ChEBI

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 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 ChEBI ID CHEBI:211968 Stars This entity has been manually annotated by a third party. Submitter MetaboLights Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C39H58O15 Net Charge 0 Average Mass 766.878 Monoisotopic Mass 766.37757 InChI InChI=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 InChIKey FTTHHGZRBOOVTE-WNQXWLONSA-N SMILES O=C(OC1=CC(O)=CC(=C1)CCCCCCC)C2=C(O[C@@H]3O[C@@H]([C@H](O)[C@@H]([C@H]3O)O)CO[C@@H]4O[C@@H]([C@H](O)[C@@H]([C@H]4O)O)CO)C=C(O)C=C2CCCCCCC Metabolite of Species Details Acremoniumspecies BCC 14080 (NCBI:txid523340) See: PubMed Roles Classification Application(s): astringent A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. (via tannin ) View more via ChEBI Ontology ChEBI Ontology Outgoing (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 Manual Xref Database 24686145 ChemSpider View more database links