[(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] propanoate (CHEBI:203352)

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CHEBI:203352 - [(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] propanoate

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ChEBI ID	CHEBI:203352
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] propanoate
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Submitter	MetaboLights
Downloads	Molfile

Formula	C31H41N3O6
Net Charge	0
Average Mass	551.684
Monoisotopic Mass	551.29954
SMILES	CCC(=O)O[C@H]1C[C@@H]2C[C@H]3[C@](NC)(CN2[C@@H](C)C1)C[C@]1(C(=O)Nc2c(C(=O)[C@H]4OC4(C)C)cccc21)[C@]3(C)C=O
InChI	InChI=1S/C31H41N3O6/c1-7-23(36)39-19-11-17(2)34-15-30(32-6)14-31(29(5,16-35)22(30)13-18(34)12-19)21-10-8-9-20(24(21)33-27(31)38)25(37)26-28(3,4)40-26/h8-10,16-19,22,26,32H,7,11-15H2,1-6H3,(H,33,38)/t17-,18+,19+,22+,26+,29+,30+,31-/m0/s1
InChIKey	BYTLPMGCHGGRQC-HHRDSYDSSA-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] propanoate (CHEBI:203352) 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] propanoate (CHEBI:203352) 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] propanoate (CHEBI:203352) 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] propanoate

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