| PDB CCD ID: | ISJ |
| Number of entries in BioLiP: | 23 |
| Chemical formula: | C10 H10 O6 |
| InChI: | InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1 |
| InChIKey: | WTFXTQVDAKGDEY-HTQZYQBOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | C=C(C(=O)O)O[C@@H]1C=C(C=C[C@H]1O)C(=O)O | | CACTVS 3.370 | O[C@@H]1C=CC(=C[C@H]1OC(=C)C(O)=O)C(O)=O | | CACTVS 3.370 | O[CH]1C=CC(=C[CH]1OC(=C)C(O)=O)C(O)=O | | ACDLabs 12.01 | O=C(O)C1=CC(O/C(C(=O)O)=C)C(O)C=C1 | | OpenEye OEToolkits 1.7.2 | C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O |
|
| Name: | (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid;
Chorismic Acid |
| ZINC: | ZINC000003869471 |
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