PDB CCD ID: | MVC |
Number of entries in BioLiP: | 0 |
Chemical formula: | C21 H40 O4 |
InChI: | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h7-8,20,22-23H,2-6,9-19H2,1H3/b8-7-/t20-/m1/s1 |
InChIKey: | KJHYUSLWTPMFTN-WHXUGTBJSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.7.2 | CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@@H](CO)O | CACTVS 3.370 | CCCCCCC=CCCCCCCCCCC(=O)OC[CH](O)CO | CACTVS 3.385 | CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](O)CO | OpenEye OEToolkits 1.7.2 | CCCCCCC=CCCCCCCCCCC(=O)OCC(CO)O | ACDLabs 12.01 | O=C(OCC(O)CO)CCCCCCCCC\C=C/CCCCCC |
|
Name: | MONOVACCENIN; 11.7 MAG |
ZINC: | ZINC000032840899 |