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CHEBI:216826 - Duclauxamide B

ChEBI IDCHEBI:216826
ChEBI NameDuclauxamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H25NO11
Net Charge0
Average Mass599.548
Monoisotopic Mass599.14276
SMILESCC(=O)O[C@H]1[C@@H]2C(=O)c3c(C)cc(O)c4c3[C@@]1(COC4=O)c1c2c2c(C)cc(=O)c3c(O)n(CCCC(=O)O)cc(c1=O)c23
InChIInChI=1S/C32H25NO11/c1-11-7-15(35)21-20-14(9-33(30(21)41)6-4-5-17(37)38)27(39)26-23(18(11)20)24-28(40)19-12(2)8-16(36)22-25(19)32(26,10-43-31(22)42)29(24)44-13(3)34/h7-9,24,29,36,41H,4-6,10H2,1-3H3,(H,37,38)/t24-,29-,32-/m0/s1
InChIKeyIWXZUUFXFJCOCX-VYPRRCLOSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tet.2020.130980)
ChEBI Ontology
Outgoing Relation(s)
Duclauxamide B (CHEBI:216826) is a isoquinolines (CHEBI:24922)
Duclauxamide B (CHEBI:216826) is a naphthalenes (CHEBI:25477)
IUPAC Name 
4-[(1S,14R,24S)-24-acetyloxy-7,19-dihydroxy-11,17-dimethyl-3,9,15,21-tetraoxo-22-oxa-6-azaheptacyclo[12.9.1.11,16.14,8.02,13.012,26.020,25]hexacosa-2(13),4,7,10,12(26),16(25),17,19-octaen-6-yl]butanoic acid