| PDB CCD ID: | BX0 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H20 O3 |
| InChI: | InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3/t8-,10+,12+,13+,15+/m0/s1 |
| InChIKey: | FRNIMDDQCZHAFA-SCFTVSGOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C[C@H]1CC[C@H]([C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)C3=C)C)O | | CACTVS 3.385 | C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12 | | OpenEye OEToolkits 2.0.7 | CC1CCC(C2(C1=CC3C(C2)OC(=O)C3=C)C)O | | CACTVS 3.385 | C[CH]1CC[CH](O)[C]2(C)C[CH]3OC(=O)C(=C)[CH]3C=C12 |
|
| Name: | (3aR,5S,8R,8aR,9aR)-5,8a-dimethyl-3-methylidene-8-oxidanyl-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one;
1beta-Hydroxyalantolactone |
| ChEMBL: | CHEMBL4082171 |
| ZINC: | ZINC000095911954 |
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