CHEBI:100417 - 2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

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ChEBI Name 2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
ChEBI ID CHEBI:100417
Stars This entity has been manually annotated by a third party.
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Formula C19H26N2O6
Net Charge 0
Average Mass 378.420
Monoisotopic Mass 378.17909
InChI InChI=1S/C19H26N2O6/c22-13-8-20-15-3-2-14(27-18(15)10-24-9-13)6-19(23)21-7-12-1-4-16-17(5-12)26-11-25-16/h1,4-5,13-15,18,20,22H,2-3,6-11H2,(H,21,23)/t13-,14+,15-,18+/m0/s1
InChIKey YFRMSEXFMHDWES-JTOWHCCKSA-N
SMILES C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NCC3=CC4=C(C=C3)OCO4
ChEBI Ontology
Outgoing 2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CHEBI:100417) is a benzodioxoles (CHEBI:38298)
Manual Xref Database
LSM-11792 LINCS
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