CHEBI:216832 - Duclauxamide C

ChEBI IDCHEBI:216832
ChEBI NameDuclauxamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H27NO11
Net Charge0
Average Mass613.575
Monoisotopic Mass613.15841
SMILESCOC(=O)CCCn1cc2c(=O)c3c(c4c(C)cc(=O)c(c1O)c42)[C@H]1C(=O)c2c(C)cc(O)c4c2[C@]3(COC4=O)[C@H]1OC(C)=O
InChIInChI=1S/C33H27NO11/c1-12-8-16(36)22-21-15(10-34(31(22)41)7-5-6-18(38)43-4)28(39)27-24(19(12)21)25-29(40)20-13(2)9-17(37)23-26(20)33(27,11-44-32(23)42)30(25)45-14(3)35/h8-10,25,30,37,41H,5-7,11H2,1-4H3/t25-,30-,33-/m0/s1
InChIKeyBBDITNXZISGTGZ-DYMXRVJRSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tet.2020.130980)
ChEBI Ontology
Outgoing Relation(s)
Duclauxamide C (CHEBI:216832) is a organic tricyclic compound (CHEBI:51959)
IUPAC Name 
methyl 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]butanoate