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CHEBI:203198 - Alanditrypinone

ChEBI IDCHEBI:203198
ChEBI NameAlanditrypinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H26N6O3
Net Charge0
Average Mass542.599
Monoisotopic Mass542.20664
SMILESC[C@@]12NC(=O)[C@@H](C[C@@]13c1ccccc1N1C(=O)[C@@H](Cc4cnc5ccccc45)N[C@@H]13)n1c2nc2ccccc2c1=O
InChIInChI=1S/C32H26N6O3/c1-31-29-34-22-12-6-3-9-19(22)27(40)38(29)25(26(39)36-31)15-32(31)20-10-4-7-13-24(20)37-28(41)23(35-30(32)37)14-17-16-33-21-11-5-2-8-18(17)21/h2-13,16,23,25,30,33,35H,14-15H2,1H3,(H,36,39)/t23-,25-,30+,31+,32+/m1/s1
InChIKeyXGMSBFCARQKIOJ-PGFNPXHBSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1016/j.bse.2004.09.002)
ChEBI Ontology
Outgoing Relation(s)
Alanditrypinone (CHEBI:203198) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
(1R,2'R,3'aS,12R,16R)-2'-(1H-indol-3-ylmethyl)-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