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CHEBI:224576 - Asperversiamide O

ChEBI IDCHEBI:224576
ChEBI NameAsperversiamide O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESC=CC(C)(C)[C@]1(CC2(O)NC(=O)C3CCCN3C2=O)C(=O)Nc2cc3c(cc21)C=CC(C)(C)O3
InChIInChI=1S/C26H31N3O5/c1-6-23(2,3)25(14-26(33)22(32)29-11-7-8-18(29)20(30)28-26)16-12-15-9-10-24(4,5)34-19(15)13-17(16)27-21(25)31/h6,9-10,12-13,18,33H,1,7-8,11,14H2,2-5H3,(H,27,31)(H,28,30)/t18?,25-,26?/m0/s1
InChIKeyKALGTNUAKASIJM-FHZBLKBXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31390200)
ChEBI Ontology
Outgoing Relation(s)
Asperversiamide O (CHEBI:224576) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
3-[[(6S)-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-7-oxo-8H-pyrano[3,2-]indol-6-yl]methyl]-3-hydroxy-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
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128436136ChemSpider