[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone (CHEBI:116262)

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CHEBI:116262 - [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone

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ChEBI ID	CHEBI:116262
ChEBI Name	[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone
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Downloads	Molfile

Formula	C34H34N2O6S
Net Charge	0
Average Mass	598.721
Monoisotopic Mass	598.21376
SMILES	O=C(C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChI	InChI=1S/C34H34N2O6S/c37-19-23-5-7-24(8-6-23)20-39-33-17-26(28-21-43-32-4-2-1-3-27(28)32)16-31(42-33)34(38)36-13-11-35(12-14-36)18-25-9-10-29-30(15-25)41-22-40-29/h1-10,15-16,21,26,33,37H,11-14,17-20,22H2/t26-,33+/m0/s1
InChIKey	CYKOLZWTLFGEPE-OOOSNSGVSA-N

ChEBI Ontology

Outgoing Relation(s)
	[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[(2R,4R)-4-(1-benzothiophen-3-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-yl]methanone (CHEBI:116262) is a benzodioxoles (CHEBI:38298)

Manual Xrefs	Databases
LSM-27717	LINCS