| PDB CCD ID: | 2V4 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C19 H14 O6 |
| InChI: | InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3/t19-/m1/s1 |
| InChIKey: | JJOLHRYZQSDLSA-LJQANCHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@]1(O)CC(=O)c2c(C1)cc(O)c3C(=O)c4c(O)cccc4C(=O)c23 | | OpenEye OEToolkits 1.7.6 | C[C@]1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O | | ACDLabs 12.01 | O=C2c4c(C(=O)c3c1C(=O)CC(O)(C)Cc1cc(O)c23)cccc4O | | OpenEye OEToolkits 1.7.6 | CC1(Cc2cc(c3c(c2C(=O)C1)C(=O)c4cccc(c4C3=O)O)O)O | | CACTVS 3.385 | C[C]1(O)CC(=O)c2c(C1)cc(O)c3C(=O)c4c(O)cccc4C(=O)c23 |
|
| Name: | rabelomycin;
(3R)-3,6,8-trihydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione |
| ChEMBL: | CHEMBL2164969 |
| ZINC: | ZINC000004654730 |
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