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CHEBI:226985 - Amidepsine I

ChEBI IDCHEBI:226985
ChEBI NameAmidepsine I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H39NO17
Net Charge0
Average Mass757.698
Monoisotopic Mass757.22180
SMILESCOc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)Oc3cc(C)c(C(=O)N[C@@H](C)C(=O)O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(C)=O)c2)c(O)c1
InChIInChI=1S/C36H39NO17/c1-14-8-20(11-22(40)26(14)32(44)37-17(4)33(45)46)51-35(48)28-16(3)9-21(52-34(47)27-15(2)7-19(49-6)10-23(27)41)12-24(28)53-36-31(50-18(5)39)30(43)29(42)25(13-38)54-36/h7-12,17,25,29-31,36,38,40-43H,13H2,1-6H3,(H,37,44)(H,45,46)/t17-,25+,29+,30-,31+,36+/m0/s1
InChIKeyRBFOMTAWEHHDSX-SBCZIEDESA-N
Species of MetaboliteComponentSourceComments
Humicola (ncbitaxon:5526) - PubMed (19942946)
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)
Amidepsine I (CHEBI:226985) is a tannin (CHEBI:26848)
IUPAC Name 
(2S)-2-[[4-[2-[(2S,3R,4S,5S,6R)-3-acetyloxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid
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78438361ChemSpider