CHEBI:203420 - Alantrypinene B

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ChEBI Name Alantrypinene B
ChEBI ID CHEBI:203420
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H16N4O2
Net Charge 0
Average Mass 356.385
Monoisotopic Mass 356.12733
InChI InChI=1S/C21H16N4O2/c1-20-19-23-14-8-4-2-6-12(14)18(27)25(19)16(17(26)24-20)10-21(20)11-22-15-9-5-3-7-13(15)21/h2-9,11,16H,10H2,1H3,(H,24,26)/t16-,20+,21-/m1/s1
InChIKey UGJOAVUFFONAPW-TYCQWZJGSA-N
SMILES O=C1N2C(=NC3=C1C=CC=C3)[C@@]4(NC([C@H]2C[C@@]45C6=C(C=CC=C6)N=C5)=O)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing Alantrypinene B (CHEBI:203420) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name
(1R,12R,16R)-12-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,3'-indole]-3,14-dione