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CHEBI:218519 - beta-aflatrem

ChEBI IDCHEBI:218519
ChEBI Namebeta-aflatrem
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H39NO4
Net Charge0
Average Mass501.667
Monoisotopic Mass501.28791
SMILESC=CC(C)(C)c1ccc2nc3c(c2c1)C[C@@H]1CC[C@@]2(O)C4=CC(=O)[C@@H]5O[C@@]4(CC[C@]2(C)[C@@]31C)OC5(C)C
InChIInChI=1S/C32H39NO4/c1-8-27(2,3)18-9-10-22-20(15-18)21-16-19-11-12-31(35)24-17-23(34)26-28(4,5)37-32(24,36-26)14-13-29(31,6)30(19,7)25(21)33-22/h8-10,15,17,19,26,33,35H,1,11-14,16H2,2-7H3/t19-,26-,29+,30+,31+,32-/m0/s1
InChIKeyONMXSHAELZXSPO-SDPXOEJRSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24983640)
ChEBI Ontology
Outgoing Relation(s)
beta-aflatrem (CHEBI:218519) is a organic heterotricyclic compound (CHEBI:26979)
beta-aflatrem (CHEBI:218519) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,4R,5S,16S,19S,23R)-19-hydroxy-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
Manual XrefsDatabases
34981554ChemSpider