[(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate (CHEBI:211330)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211330 - [(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate

Take structure to advanced search

ChEBI ID	CHEBI:211330
ChEBI Name	[(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H39N3O6
Net Charge	0
Average Mass	537.657
Monoisotopic Mass	537.28389
SMILES	CN[C@]12CN3[C@H](C[C@H](OC(C)=O)C[C@@H]3C)C[C@@H]1[C@@](C)(C=O)[C@]1(C2)C(=O)Nc2c(C(=O)[C@H]3OC3(C)C)cccc21
InChI	InChI=1S/C30H39N3O6/c1-16-10-19(38-17(2)35)11-18-12-22-28(5,15-34)30(13-29(22,31-6)14-33(16)18)21-9-7-8-20(23(21)32-26(30)37)24(36)25-27(3,4)39-25/h7-9,15-16,18-19,22,25,31H,10-14H2,1-6H3,(H,32,37)/t16-,18+,19+,22+,25+,28+,29+,30-/m0/s1
InChIKey	ODTKFWRIIHNFDF-VICBJUCRSA-N

Species of Metabolite	Component	Source	Comments
Penicillium waksmanii (ncbitaxon:69791)	-	PubMed (18057695)

ChEBI Ontology

Outgoing Relation(s)
	[(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate (CHEBI:211330) has functional parent δ-amino acid (CHEBI:35931)
	[(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate (CHEBI:211330) is a organonitrogen compound (CHEBI:35352)
	[(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate (CHEBI:211330) is a organooxygen compound (CHEBI:36963)

IUPAC Name
[(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] acetate

Manual Xrefs	Databases
27023220	ChemSpider