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CHEBI:189475 - N-[(1s,2s,8s,8as)-8-hydroxy-7-{(2s)-1-[(2r)-2-(methoxymethyl)-1-pyrrolidinyl]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide

Default Structure
ChEBI IDCHEBI:189475
ChEBI NameN-[(1s,2s,8s,8as)-8-hydroxy-7-{(2s)-1-[(2r)-2-(methoxymethyl)-1-pyrrolidinyl]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40N4O4
Net Charge0
Average Mass472.630
Monoisotopic Mass472.30496
SMILES[H][C@]12[C@H](C)[C@@H](NC(=O)c3cncnc3)CC[C@]1(C)CCC([C@H](C)C(=O)N1CCC[C@@H]1COC)[C@@H]2O
InChIInChI=1S/C26H40N4O4/c1-16(25(33)30-11-5-6-19(30)14-34-4)20-7-9-26(3)10-8-21(17(2)22(26)23(20)31)29-24(32)18-12-27-15-28-13-18/h12-13,15-17,19-23,31H,5-11,14H2,1-4H3,(H,29,32)/t16-,17+,19+,20?,21-,22+,23-,26-/m0/s1
InChIKeyDBMMYSPHIVYAFT-TWQGHEAKSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
N-[(1s,2s,8s,8as)-8-hydroxy-7-{(2s)-1-[(2r)-2-(methoxymethyl)-1-pyrrolidinyl]-1-oxo-2-propanyl}-1,4a-dimethyldecahydro-2-naphthalenyl]-5-pyrimidinecarboxamide (CHEBI:189475) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
N-[(1S,2S,4aS,8S,8aS)-8-hydroxy-7-[(2S)-1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyrimidine-5-carboxamide
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22806102ChemSpider