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CHEBI:215964 - Asperochramide A

ChEBI IDCHEBI:215964
ChEBI NameAsperochramide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33N3O4
Net Charge0
Average Mass451.567
Monoisotopic Mass451.24711
SMILESC=CC(C)(C)[C@@]1(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C(=O)Nc2c1ccc(O)c2CC=C(C)C
InChIInChI=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
InChIKeyLPZGWSIMFBHBHV-LZJCXSABSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) - PubMed (29479805)
ChEBI Ontology
Outgoing Relation(s)
Asperochramide A (CHEBI:215964) has functional parent α-amino acid (CHEBI:33704)
Asperochramide A (CHEBI:215964) is a organonitrogen compound (CHEBI:35352)
Asperochramide A (CHEBI:215964) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,8aS)-3-[[(3R)-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