2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester (CHEBI:99170)

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CHEBI:99170 - 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

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ChEBI ID	CHEBI:99170
ChEBI Name	2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
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Formula	C19H27NO8S
Net Charge	0
Average Mass	429.491
Monoisotopic Mass	429.14574
SMILES	COC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2S(=O)(=O)c2ccccc2OC)O1
InChI	InChI=1S/C19H27NO8S/c1-25-16-5-3-4-6-18(16)29(23,24)20-10-13(21)11-27-12-17-15(20)8-7-14(28-17)9-19(22)26-2/h3-6,13-15,17,21H,7-12H2,1-2H3/t13-,14-,15-,17+/m1/s1
InChIKey	WAKYUTRBASZCGN-ANQUJSFKSA-N

ChEBI Ontology

Outgoing Relation(s)
	2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester (CHEBI:99170) is a sulfonamide (CHEBI:35358)

Manual Xrefs	Databases
LSM-10549	LINCS