N-[(1S,3S,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide (CHEBI:97288)

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CHEBI:97288 - N-[(1S,3S,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide

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ChEBI ID	CHEBI:97288
ChEBI Name	N-[(1S,3S,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide
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Downloads	Molfile

Formula	C28H32N2O8
Net Charge	0
Average Mass	524.570
Monoisotopic Mass	524.21587
SMILES	O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCOCC4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc2c(c1)OCO2
InChI	InChI=1S/C28H32N2O8/c31-14-25-27-21(20-10-18(2-4-22(20)38-27)30-28(33)17-5-7-34-8-6-17)11-19(37-25)12-26(32)29-13-16-1-3-23-24(9-16)36-15-35-23/h1-4,9-10,17,19,21,25,27,31H,5-8,11-15H2,(H,29,32)(H,30,33)/t19-,21+,25-,27-/m0/s1
InChIKey	MOISLORHFJLABX-OSHLHTJISA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(1S,3S,4aR,9aS)-3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]oxane-4-carboxamide (CHEBI:97288) is a furopyran (CHEBI:74927)

Manual Xrefs	Databases
LSM-8667	LINCS