3-(1,3-benzodioxol-5-yl)-1-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:96323)

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CHEBI:96323 - 3-(1,3-benzodioxol-5-yl)-1-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

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ChEBI ID	CHEBI:96323
ChEBI Name	3-(1,3-benzodioxol-5-yl)-1-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea
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Formula	C29H37N3O7S
Net Charge	0
Average Mass	571.696
Monoisotopic Mass	571.23522
SMILES	C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
InChI	InChI=1S/C29H37N3O7S/c1-19-15-32(20(2)17-33)40(35,36)28-12-9-22(21-7-5-4-6-8-21)13-26(28)39-27(19)16-31(3)29(34)30-23-10-11-24-25(14-23)38-18-37-24/h7,9-14,19-20,27,33H,4-6,8,15-18H2,1-3H3,(H,30,34)/t19-,20+,27+/m0/s1
InChIKey	ZBKDHRFNQBVZSS-ASHZAFPQSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(1,3-benzodioxol-5-yl)-1-[[(4S,5S)-8-(1-cyclohexenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea (CHEBI:96323) is a benzodioxoles (CHEBI:38298)

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LSM-7702	LINCS