CHEBI:209463 - Asperdiazapinone E

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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 Asperdiazapinone E
ChEBI ID CHEBI:209463
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H25N3O4
Net Charge 0
Average Mass 407.470
Monoisotopic Mass 407.18451
InChI InChI=1S/C23H25N3O4/c1-12(2)3-4-13-5-8-19(28)21-20(13)23(30)25-18(22(29)26-21)9-14-11-24-17-10-15(27)6-7-16(14)17/h3,6-7,10-11,13,18,24,27H,4-5,8-9H2,1-2H3,(H,25,30)(H,26,29)/t13-,18-/m0/s1
InChIKey UYXFNWHKPGVMAY-UGSOOPFHSA-N
SMILES O=C1N[C@H](C(=O)NC2=C1[C@H](CCC2=O)CC=C(C)C)CC=3C4=C(C=C(O)C=C4)NC3
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing Asperdiazapinone E (CHEBI:209463) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(3S,6R)-3-[(6-hydroxy-1H-indol-3-yl)methyl]-6-(3-methylbut-2-enyl)-1,3,4,6,7,8-hexahydro-1,4-benzodiazepine-2,5,9-trione
Manual Xref Database
35003406 ChemSpider
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