CHEBI:101609 - 2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
ChEBI ID CHEBI:101609
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H21NO5
Net Charge 0
Average Mass 259.299
Monoisotopic Mass 259.14197
InChI InChI=1S/C12H21NO5/c1-16-12(15)4-9-2-3-10-11(18-9)7-17-6-8(14)5-13-10/h8-11,13-14H,2-7H2,1H3/t8-,9-,10+,11-/m1/s1
InChIKey FKMAUGDURCCEJG-CHWFTXMASA-N
SMILES COC(=O)C[C@H]1CC[C@H]2[C@H](O1)COC[C@@H](CN2)O
ChEBI Ontology
Outgoing 2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester (CHEBI:101609) is a oxanes (CHEBI:46942)
Manual Xref Database
LSM-12972 LINCS
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