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CHEBI:219196 - Asperversiamide H

ChEBI IDCHEBI:219196
ChEBI NameAsperversiamide H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O4
Net Charge0
Average Mass449.551
Monoisotopic Mass449.23146
SMILESC=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)C(=O)Nc2cc3c(cc21)C=CC(C)(C)O3
InChIInChI=1S/C26H31N3O4/c1-6-24(2,3)26(14-18-22(31)29-11-7-8-19(29)21(30)27-18)16-12-15-9-10-25(4,5)33-20(15)13-17(16)28-23(26)32/h6,9-10,12-13,18-19H,1,7-8,11,14H2,2-5H3,(H,27,30)(H,28,32)/t18-,19-,26-/m0/s1
InChIKeyMTVNXTIKSNTFEN-DGUDUIIESA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (30016097)
ChEBI Ontology
Outgoing Relation(s)
Asperversiamide H (CHEBI:219196) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(3S,8aS)-3-[[(6S)-2,2-dimethyl-6-(2-methylbut-3-en-2-yl)-7-oxo-8H-pyrano[3,2-]indol-6-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
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68007500ChemSpider