CHEBI:215969 - Asperochramide B

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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 Asperochramide B
ChEBI ID CHEBI:215969
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H33N3O4
Net Charge 0
Average Mass 451.567
Monoisotopic Mass 451.24711
InChI InChI=1S/C26H33N3O4/c1-6-25(4,5)26(14-18-23(32)29-13-7-8-19(29)22(31)27-18)17-11-12-20(30)16(10-9-15(2)3)21(17)28-24(26)33/h6,9,11-12,18-19,30H,1,7-8,10,13-14H2,2-5H3,(H,27,31)(H,28,33)/t18-,19-,26-/m0/s1
InChIKey LPZGWSIMFBHBHV-DGUDUIIESA-N
SMILES O=C1N2[C@H](C(=O)N[C@H]1C[C@]3(C(=O)NC4=C3C=CC(=C4CC=C(C)C)O)C(C=C)(C)C)CCC2
Metabolite of Species Details
Aspergillus ochraceus (NCBI:txid40380) See: PubMed
ChEBI Ontology
Outgoing Asperochramide B (CHEBI:215969) has functional parent α-amino acid (CHEBI:33704)
Asperochramide B (CHEBI:215969) is a organonitrogen compound (CHEBI:35352)
Asperochramide B (CHEBI:215969) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,8aS)-3-[[(3S)-6-hydroxy-3-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-2-oxo-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione