| PDB CCD ID: | WRR |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C19 H18 O4 |
| InChI: | InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3/t12-,15+/m0/s1 |
| InChIKey: | ZUJMMGHIYSAEOU-SWLSCSKDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(CC(c1ccccc1)C2=C(c3ccccc3OC2=O)O)O | | OpenEye OEToolkits 1.5.0 | C[C@@H](C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O)O)O | | CACTVS 3.341 | C[CH](O)C[CH](c1ccccc1)C2=C(O)c3ccccc3OC2=O | | CACTVS 3.341 | C[C@H](O)C[C@H](c1ccccc1)C2=C(O)c3ccccc3OC2=O | | ACDLabs 10.04 | O=C2Oc1ccccc1C(O)=C2C(c3ccccc3)CC(O)C |
|
| Name: | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY-1-PHENYLBUTYL]-2H-CHROMEN-2-ONE;
WARFARIN R-(+) |
umich.edu