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CHEBI:204571 - (2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-beta-aflatrem

ChEBI IDCHEBI:204571
ChEBI Name(2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-beta-aflatrem
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39NO3
Net Charge0
Average Mass485.668
Monoisotopic Mass485.29299
SMILESC=CC(C)(C)c1ccc2nc3c(c2c1)C[C@@H]1CC[C@H]2C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C
InChIInChI=1S/C32H39NO3/c1-8-28(2,3)18-10-12-24-20(15-18)21-16-19-9-11-22-23-17-25(34)27-29(4,5)36-32(23,35-27)14-13-30(22,6)31(19,7)26(21)33-24/h8,10,12,15,17,19,22,27,33H,1,9,11,13-14,16H2,2-7H3/t19-,22-,27-,30-,31+,32-/m0/s1
InChIKeyGKYRSDPAEHYGMZ-HVRDIXFZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24983640)
ChEBI Ontology
Outgoing Relation(s)
(2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-beta-aflatrem (CHEBI:204571) is a organic heterotricyclic compound (CHEBI:26979)
(2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-beta-aflatrem (CHEBI:204571) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4S,5S,16S,19R,23R)-4,5,24,24-tetramethyl-11-(2-methylbut-3-en-2-yl)-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8(13),9,11,20-pentaen-22-one
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34981553ChemSpider