CHEBI:123406 - 2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid
ChEBI ID CHEBI:123406
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H19NO5
Net Charge 0
Average Mass 305.326
Monoisotopic Mass 305.12632
InChI InChI=1S/C16H19NO5/c18-15(11-3-1-2-4-12(11)16(19)20)17-10-5-6-13-14(9-10)22-8-7-21-13/h5-6,9,11-12H,1-4,7-8H2,(H,17,18)(H,19,20)
InChIKey LWYYYWNLCLHWQV-UHFFFAOYSA-N
SMILES C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)O
ChEBI Ontology
Outgoing 2-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-cyclohexanecarboxylic acid (CHEBI:123406) is a benzodioxine (CHEBI:64096)
Manual Xref Database
LSM-34848 LINCS
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