CHEBI:205843 - Alantryleunone

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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 Alantryleunone
ChEBI ID CHEBI:205843
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H27N5O3
Net Charge 0
Average Mass 469.545
Monoisotopic Mass 469.21139
InChI InChI=1S/C27H27N5O3/c1-14(2)12-18-23(35)31-19-11-7-5-9-16(19)27(25(31)29-18)13-20-21(33)30-26(27,3)24-28-17-10-6-4-8-15(17)22(34)32(20)24/h4-11,14,18,20,25,29H,12-13H2,1-3H3,(H,30,33)/t18-,20-,25+,26+,27+/m1/s1
InChIKey YXZKXQFQFVNJGY-BPKUFTPRSA-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(C)C)C7=O)=O)C
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) See: DOI
ChEBI Ontology
Outgoing Alantryleunone (CHEBI:205843) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name
(1R,2'R,3'aS,12R,16R)-12-methyl-2'-(2-methylpropyl)spiro[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
Manual Xref Database
78441942 ChemSpider
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