CHEBI:224771 - Amidepsine J

ChEBI IDCHEBI:224771
ChEBI NameAmidepsine J
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FormulaC29H29NO11
Net Charge0
Average Mass567.547
Monoisotopic Mass567.17406
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)c2)c(OC)c1
InChIInChI=1S/C29H29NO11/c1-13-8-18(10-20(31)23(13)26(33)30-16(4)27(34)35)40-28(36)24-14(2)9-19(11-21(24)32)41-29(37)25-15(3)7-17(38-5)12-22(25)39-6/h7-12,16,31-32H,1-6H3,(H,30,33)(H,34,35)/t16-/m0/s1
InChIKeyXQGKRCPZJSNFEL-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Humicola (ncbitaxon:5526) - PubMed (19942946)
ChEBI Ontology
Outgoing Relation(s)
Amidepsine J (CHEBI:224771) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2S)-2-[[4-[4-(2,4-dimethoxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoyl]oxy-2-hydroxy-6-methylbenzoyl]amino]propanoic acid
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