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CHEBI:199185 - Aflavinine

ChEBI IDCHEBI:199185
ChEBI NameAflavinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO
Net Charge0
Average Mass405.626
Monoisotopic Mass405.30316
SMILESCC(C)C1=C(c2cnc3ccccc23)[C@@H]2[C@H](C)CC[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1
InChIInChI=1S/C28H39NO/c1-17(2)20-13-15-28-24(30)11-10-19(4)27(28,5)14-12-18(3)26(28)25(20)22-16-29-23-9-7-6-8-21(22)23/h6-9,16-19,24,26,29-30H,10-15H2,1-5H3/t18-,19-,24+,26+,27+,28+/m1/s1
InChIKeyLXZADDNPPHIYMD-QQVIWQHHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - DOI (10.1016/s0040-4039(00)71179-8)
ChEBI Ontology
Outgoing Relation(s)
Aflavinine (CHEBI:199185) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,4R,4aS,7R,7aS,11aS)-8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-propan-2-yl-1,2,3,4,5,6,7,7a,10,11-decahydrobenzo[i]naphthalen-1-ol
Manual XrefsDatabases
10313765ChemSpider