| PDB CCD ID: | SDN |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C16 H14 O5 |
| InChI: | InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1 |
| InChIKey: | HHXSOTFPYPQSBU-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CC1=C2C(=Cc3cccc(O)c3C2=O)C[C@@H](CC(O)=O)O1 | | ACDLabs 10.04 | O=C2c1c(O)cccc1C=C3C2=C(OC(C3)CC(=O)O)C | | OpenEye OEToolkits 1.5.0 | CC1=C2C(=Cc3cccc(c3C2=O)O)CC(O1)CC(=O)O | | OpenEye OEToolkits 1.5.0 | CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O | | CACTVS 3.341 | CC1=C2C(=Cc3cccc(O)c3C2=O)C[CH](CC(O)=O)O1 |
|
| Name: | [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid;
4,10-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho-[2,3-c]-pyran-3-(S)-acetic acid |
| DrugBank: | DB08541 |
| ZINC: | ZINC000024960091 |
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