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CHEBI:227401 - 14-(N,N-dimethyl-L-valyloxy)paspalinine

ChEBI IDCHEBI:227401
ChEBI Name14-(N,N-dimethyl-L-valyloxy)paspalinine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H44N2O6
Net Charge0
Average Mass576.734
Monoisotopic Mass576.31994
SMILESCC(C)[C@@H](C(=O)O[C@H]1C[C@H]2Cc3c(nc4ccccc34)[C@]2(C)[C@@]2(C)CC[C@@]34O[C@@H](C(=O)C=C3[C@]12O)C(C)(C)O4)N(C)C
InChIInChI=1S/C34H44N2O6/c1-18(2)26(36(7)8)29(38)40-25-16-19-15-21-20-11-9-10-12-22(20)35-27(21)32(19,6)31(5)13-14-33-24(34(25,31)39)17-23(37)28(41-33)30(3,4)42-33/h9-12,17-19,25-26,28,35,39H,13-16H2,1-8H3/t19-,25+,26+,28+,31-,32-,33+,34+/m1/s1
InChIKeyGXPHIUYLJYRQDY-ZDDJJTGQSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nomiae (ncbitaxon:41061) - DOI (10.1016/s0040-4039(00)77627-1)
ChEBI Ontology
Outgoing Relation(s)
14-(N,N-dimethyl-L-valyloxy)paspalinine (CHEBI:227401) is a organic heterotricyclic compound (CHEBI:26979)
14-(N,N-dimethyl-L-valyloxy)paspalinine (CHEBI:227401) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,4R,5S,16R,18S,19S,23R)-19-hydroxy-4,5,24,24-tetramethyl-22-oxo-25,26-dioxa-7-azaheptacyclo[21.2.1.01,20.04,19.05,16.06,14.08,13]hexacosa-6(14),8,10,12,20-pentaen-18-yl] (2S)-2-(dimethylamino)-3-methylbutanoate
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8636209ChemSpider