PDB CCD ID: | SSV |
Number of entries in BioLiP: | 1 |
Chemical formula: | C15 H18 O |
InChI: | InChI=1S/C15H18O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H,1-2H3/b4-3+,6-5+,8-7+,10-9+,12-11+,14-13+ |
InChIKey: | IKKRHADMXZRWGK-IDFWPVMJSA-N |
SMILES: | Software | SMILES |
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ACDLabs 10.04 | O=C(\C=C\C=C\C=C\C=C\C=C\C=C\C)C | OpenEye OEToolkits 1.6.1 | C\C=C\C=C\C=C\C=C\C=C\C=C\C(=O)C | CACTVS 3.352 | C/C=C/C=C/C=C/C=C/C=C/C=C/C(C)=O | OpenEye OEToolkits 1.6.1 | CC=CC=CC=CC=CC=CC=CC(=O)C | CACTVS 3.352 | CC=CC=CC=CC=CC=CC=CC(C)=O |
|
Name: | (3E,5E,7E,9E,11E,13E)-pentadeca-3,5,7,9,11,13-hexaen-2-one |
ZINC: | ZINC000058649352 |