CHEBI:203198 - Alanditrypinone

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Alanditrypinone
ChEBI ID CHEBI:203198
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H26N6O3
Net Charge 0
Average Mass 542.599
Monoisotopic Mass 542.20664
InChI InChI=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
InChIKey XGMSBFCARQKIOJ-PGFNPXHBSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@@]4(NC([C@H]2C[C@@]45C6=C(C=CC=C6)N7[C@@H]5N[C@H](CC=8C9=C(C=CC=C9)NC8)C7=O)=O)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing 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