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CHEBI:211008 - Secopyranamide C

ChEBI IDCHEBI:211008
ChEBI NameSecopyranamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37N3O7
Net Charge0
Average Mass503.596
Monoisotopic Mass503.26315
SMILESCC[C@H](C)C1=C2N=C(OC)[C@](O)(C[C@H](CC(OC)OC)OC)C(=O)N2[C@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C26H37N3O7/c1-7-16(2)21-22-28-24(36-6)26(32,15-18(33-3)14-20(34-4)35-5)25(31)29(22)19(23(30)27-21)13-17-11-9-8-10-12-17/h8-12,16,18-20,32H,7,13-15H2,1-6H3,(H,27,30)/t16-,18-,19+,26+/m0/s1
InChIKeyJXGSAZKKKNGVCW-DFPFIFOISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/c8qo01147h)
ChEBI Ontology
Outgoing Relation(s)
Secopyranamide C (CHEBI:211008) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(3R,6R)-6-benzyl-9-[(2S)-butan-2-yl]-3-hydroxy-2-methoxy-3-[(2R)-2,4,4-trimethoxybutyl]-6,8-dihydropyrazino[1,2-a]pyrimidine-4,7-dione
Manual XrefsDatabases
71360610ChemSpider