| PDB CCD ID: | TZU |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C17 H16 O5 |
| InChI: | InChI=1S/C17H16O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,12-15H,7-8H2,1H3/t12-,13+,14-,15-/m1/s1 |
| InChIKey: | SBWWVZFWHGNNPM-LXTVHRRPSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC1=C[CH](OC[CH]2[CH]3Cc4ccccc4[CH]3OC2=O)OC1=O | | OpenEye OEToolkits 2.0.7 | CC1=CC(OC1=O)OCC2C3Cc4ccccc4C3OC2=O | | CACTVS 3.385 | CC1=C[C@H](OC[C@H]2[C@H]3Cc4ccccc4[C@H]3OC2=O)OC1=O | | OpenEye OEToolkits 2.0.7 | CC1=C[C@@H](OC1=O)OC[C@H]2[C@H]3Cc4ccccc4[C@H]3OC2=O | | ACDLabs 12.01 | O=C1OC2C(Cc3ccccc32)C1COC1C=C(C)C(=O)O1 |
|
| Name: | (3R,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methyl)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one;
GR24 |
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