| PDB CCD ID: | MJA |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C19 H30 O5 |
| InChI: | InChI=1S/C19H30O5/c1-11-7-13-4-3-12(2)16(19(13)17(22)8-11)6-5-14(20)9-15(21)10-18(23)24/h3-4,7,11-12,14-17,19-22H,5-6,8-10H2,1-2H3,(H,23,24)/t11-,12-,14+,15+,16-,17-,19-/m0/s1 |
| InChIKey: | FJQFRDAWQRBFCG-IRUSZSJRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC1CC(C2C(C(C=CC2=C1)C)CCC(CC(CC(=O)O)O)O)O | | ACDLabs 10.04 | O=C(O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(O)C12)C)C | | OpenEye OEToolkits 1.5.0 | C[C@@H]1C[C@@H]([C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C[C@H](CC(=O)O)O)O)O | | CACTVS 3.341 | C[CH]1C[CH](O)[CH]2[CH](CC[CH](O)C[CH](O)CC(O)=O)[CH](C)C=CC2=C1 | | CACTVS 3.341 | C[C@@H]1C[C@H](O)[C@@H]2[C@@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H](C)C=CC2=C1 |
|
| Name: | (3R,5R)-3,5-dihydroxy-7-[(1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid;
Monacolin J acid |
| ZINC: | ZINC000021981246 |
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