| PDB CCD ID: | W2V |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H16 O4 |
| InChI: | InChI=1S/C13H16O4/c1-16-10-4-2-3-9(7-10)11-5-6-17-8-12(11)13(14)15/h2-4,7,11-12H,5-6,8H2,1H3,(H,14,15)/t11-,12-/m1/s1 |
| InChIKey: | RGWPZWUASAWZRN-VXGBXAGGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COc1cccc(c1)[C@H]2CCOC[C@H]2C(=O)O | | ACDLabs 12.01 | c2c(C1CCOCC1C(O)=O)cc(cc2)OC | | CACTVS 3.385 | COc1cccc(c1)[CH]2CCOC[CH]2C(O)=O | | CACTVS 3.385 | COc1cccc(c1)[C@H]2CCOC[C@H]2C(O)=O | | OpenEye OEToolkits 2.0.7 | COc1cccc(c1)C2CCOCC2C(=O)O |
|
| Name: | (3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid |
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