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CHEBI:176460 - Grandisine C

ChEBI IDCHEBI:176460
ChEBI NameGrandisine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23NO3
Net Charge0
Average Mass277.364
Monoisotopic Mass277.16779
SMILES[H][C@@]12C(=O)C3=C(C[C@@H](O)C[C@@H]3C)O[C@]1([H])CCN1CCC[C@]12[H]
InChIInChI=1S/C16H23NO3/c1-9-7-10(18)8-13-14(9)16(19)15-11-3-2-5-17(11)6-4-12(15)20-13/h9-12,15,18H,2-8H2,1H3/t9-,10-,11-,12+,15-/m0/s1
InChIKeyWNDBXOYUMYCREE-NAYUARGSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
Grandisine C (CHEBI:176460) is a indolizines (CHEBI:38485)
IUPAC Name 
(6aR,9S,11S,12aS,12bS)-9-hydroxy-11-methyl-1,2,3,5,6,6a,8,9,10,11,12a,12b-dodecahydrochromeno[2,3-g]indolizin-12-one
Manual XrefsDatabases
17245189ChemSpider