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CHEBI:210989 - Pyranamide B

ChEBI IDCHEBI:210989
ChEBI NamePyranamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N3O6
Net Charge0
Average Mass457.527
Monoisotopic Mass457.22129
SMILESCC[C@H](C)C1=C2NC(=O)[C@]3(C[C@@H](OC)C[C@H](OC)O3)C(=O)N2[C@H](Cc2ccccc2)C(=O)N1
InChIInChI=1S/C24H31N3O6/c1-5-14(2)19-20-26-22(29)24(13-16(31-3)12-18(32-4)33-24)23(30)27(20)17(21(28)25-19)11-15-9-7-6-8-10-15/h6-10,14,16-18H,5,11-13H2,1-4H3,(H,25,28)(H,26,29)/t14-,16-,17+,18+,24+/m0/s1
InChIKeyCICAMELMHNOFPY-DTPBCAQXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1039/c8qo01147h)
ChEBI Ontology
Outgoing Relation(s)
Pyranamide B (CHEBI:210989) is a pyrimidone (CHEBI:38337)
IUPAC Name 
(3R,4'R,6R,6'R)-6-benzyl-9-[(2S)-butan-2-yl]-4',6'-dimethoxyspiro[6,8-dihydro-1H-pyrazino[1,2-a]pyrimidine-3,2'-oxane]-2,4,7-trione
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71360607ChemSpider