| PDB CCD ID: | 7DF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H20 O5 |
| InChI: | InChI=1S/C15H20O5/c1-13(2)4-8-3-9(11(16)17)10-5-19-12(18)15(7-20-15)14(8,10)6-13/h8-10H,3-7H2,1-2H3,(H,16,17)/t8-,9-,10+,14-,15-/m1/s1 |
| InChIKey: | FLEPJXXPLHDGAH-XKSWNSKZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | CC1(CC2CC(C3C2(C1)C4(CO4)C(=O)OC3)C(=O)O)C | | ACDLabs 12.01 | C1C4C3(CC1(C)C)C2(OC2)C(=O)OCC3C(C(O)=O)C4 | | OpenEye OEToolkits 2.0.5 | CC1(C[C@H]2C[C@H]([C@H]3[C@]2(C1)[C@@]4(CO4)C(=O)OC3)C(=O)O)C | | CACTVS 3.385 | CC1(C)C[CH]2C[CH]([CH]3COC(=O)[C]4(CO4)[C]23C1)C(O)=O | | CACTVS 3.385 | CC1(C)C[C@H]2C[C@H]([C@@H]3COC(=O)[C@]4(CO4)[C@]23C1)C(O)=O |
|
| Name: | Dihydropentalenolactone F;
(2R,4a'R,7a'R,9'R,9a'S)-6',6'-dimethyl-3'-oxooctahydro-3'H-spiro[oxirane-2,4'-pentaleno[1,6a-c]pyran]-9'-carboxylic acid |
| ZINC: | ZINC000584905366 |
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