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CHEBI:228854 - Bullatine G

ChEBI IDCHEBI:228854
ChEBI NameBullatine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO3
Net Charge0
Average Mass357.494
Monoisotopic Mass357.23039
SMILES[H][C@@]12C[C@]3([C@H](O)C1=C)[C@@]1([H])C[C@]4([H])[C@@]5(C)CC[C@H](O)[C@]4([C@]3([H])CC2=O)[C@]1([H])N(CC)C5
InChIInChI=1S/C22H31NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-13,15-19,25-26H,2,4-10H2,1,3H3/t12-,13+,15-,16-,17+,18-,19-,20+,21+,22+/m1/s1
InChIKeyCBOSLVQFGANWTL-DVPYZRQCSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Bullatine G (CHEBI:228854) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1R,2R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-7,16-dihydroxy-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecan-4-one
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28643569ChemSpider