P233 | canonical SMILES | C1=CN(C=C1)CCC2=CC=CO2 |
P231 | CAS Registry Number | 161748-62-5 |
P8494 | DSSTOX compound identifier | DTXCID50684970 |
P3117 | DSSTox substance ID | DTXSID90734226 |
P234 | InChI | InChI=1S/C10H11NO/c1-2-7-11(6-1)8-5-10-4-3-9-12-10/h1-4,6-7,9H,5,8H2 |
P235 | InChIKey | BIGBGRCBSUCSLZ-UHFFFAOYSA-N |
P662 | PubChem CID | 61470653 |
P11089 | UniChem compound ID | 60434666 |
P703 | found in taxon | Coffea arabica | Q47685 |
P2067 | mass | 161.084063972 |
Q104247711 | New volatile components of roasted coffee | main subject | P921 |
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