| PDB CCD ID: | XD6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C18 H19 Cl O6 |
| InChI: | InChI=1S/C18H19ClO6/c19-17-13-8-12(21)6-2-1-4-11(10-20)5-3-7-25-18(24)16(13)14(22)9-15(17)23/h5,9-10,22-23H,1-4,6-8H2/b11-5- |
| InChIKey: | XRPZFFJMSSNWNE-WZUFQYTHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | c1c(c2c(c(c1O)Cl)CC(=O)CCCCC(=CCCOC2=O)C=O)O | | CACTVS 3.370 | Oc1cc(O)c2C(=O)OCC/C=C(/CCCCC(=O)Cc2c1Cl)C=O | | CACTVS 3.370 | Oc1cc(O)c2C(=O)OCCC=C(CCCCC(=O)Cc2c1Cl)C=O | | OpenEye OEToolkits 1.7.6 | c1c(c2c(c(c1O)Cl)CC(=O)CCCC/C(=C/CCOC2=O)/C=O)O | | ACDLabs 10.04 | O=C1OCCC=C(C=O)CCCCC(=O)Cc2c1c(O)cc(O)c2Cl |
|
| Name: | (5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE;
RESORCYCLIC ACID MACROLACTONE |
| ZINC: | ZINC000058639168 |
zhanggroup.org