loading...| Preferred Name |
2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid |
| ID |
http://purl.obolibrary.org/obo/CHEBI_110221 |
| charge |
0 |
| database_cross_reference |
LINCS:LSM-21670 |
| formula |
C21H21FN2O6 |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:110221 |
| in_subset | |
| inchi |
InChI=1S/C21H21FN2O6/c22-11-1-3-12(4-2-11)23-21(28)24-13-5-6-17-15(7-13)16-8-14(9-19(26)27)29-18(10-25)20(16)30-17/h1-7,14,16,18,20,25H,8-10H2,(H,26,27)(H2,23,24,28)/t14-,16-,18-,20+/m0/s1 |
| inchikey |
MPRUPAINZQILBH-PFSLXQJOSA-N |
| label |
2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid |
| mass |
416.400 |
| monoisotopicmass |
416.13836 |
| notation |
CHEBI:110221 |
| prefLabel |
2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid |
| smiles |
C1[C@H](O[C@H]([C@H]2[C@@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)F)CO)CC(=O)O |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| There are currently no mappings for this class. | |||