(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108886)

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CHEBI:108886 - (2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

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ChEBI ID	CHEBI:108886
ChEBI Name	(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
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Formula	C27H37N3O5
Net Charge	0
Average Mass	483.609
Monoisotopic Mass	483.27332
SMILES	C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc2c(c1)OCO2
InChI	InChI=1S/C27H37N3O5/c1-18-13-30(19(2)16-31)27(32)12-21-11-22(28(3)4)7-9-23(21)35-26(18)15-29(5)14-20-6-8-24-25(10-20)34-17-33-24/h6-11,18-19,26,31H,12-17H2,1-5H3/t18-,19-,26-/m0/s1
InChIKey	VAKWQMKHOINUIK-DGUDUIIESA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108886) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-20285	LINCS