| PDB CCD ID: | K0O |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C15 H22 O4 |
| InChI: | InChI=1S/C15H22O4/c1-9(2)10-3-5-14-7-12(19-8-14)15(18,13(16)17)6-4-11(10)14/h11-12,18H,3-8H2,1-2H3,(H,16,17)/t11-,12+,14+,15+/m0/s1 |
| InChIKey: | IOYVXXQKVQKQIG-CTHBEMJXSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(=C1CC[C@@]23[C@H]1CC[C@@]([C@@H](C2)OC3)(C(=O)O)O)C | | OpenEye OEToolkits 2.0.7 | CC(=C1CCC23C1CCC(C(C2)OC3)(C(=O)O)O)C | | CACTVS 3.385 | CC(C)=C1CC[C]23CO[CH](C2)[C](O)(CC[CH]13)C(O)=O | | CACTVS 3.385 | CC(C)=C1CC[C@]23CO[C@H](C2)[C@](O)(CC[C@@H]13)C(O)=O |
|
| Name: | Aspterric Acid;
(1~{S},5~{S},8~{R},9~{R})-8-oxidanyl-4-propan-2-ylidene-10-oxatricyclo[7.2.1.0^{1,5}]dodecane-8-carboxylic acid |
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