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CHEBI:207364 - Alantryphenone

ChEBI IDCHEBI:207364
ChEBI NameAlantryphenone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H25N5O3
Net Charge0
Average Mass503.562
Monoisotopic Mass503.19574
SMILESC[C@@]12NC(=O)[C@@H](C[C@@]13c1ccccc1N1C(=O)[C@@H](Cc4ccccc4)N[C@@H]13)n1c2nc2ccccc2c1=O
InChIInChI=1S/C30H25N5O3/c1-29-27-31-20-13-7-5-11-18(20)25(37)35(27)23(24(36)33-29)16-30(29)19-12-6-8-14-22(19)34-26(38)21(32-28(30)34)15-17-9-3-2-4-10-17/h2-14,21,23,28,32H,15-16H2,1H3,(H,33,36)/t21-,23-,28+,29+,30+/m1/s1
InChIKeyXGALXCIYIXMPKV-FUYNQFFVSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.bse.2004.09.002)
ChEBI Ontology
Outgoing Relation(s)
Alantryphenone (CHEBI:207364) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1R,2'R,3'aS,12R,16R)-2'-benzyl-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione