EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30O3 |
| Net Charge | 0 |
| Average Mass | 318.457 |
| Monoisotopic Mass | 318.21949 |
| SMILES | C=CC1(C)C=C2C(O)CC3C(C)(C(=O)O)CCCC3(C)C2CC1 |
| InChI | InChI=1S/C20H30O3/c1-5-18(2)10-7-14-13(12-18)15(21)11-16-19(14,3)8-6-9-20(16,4)17(22)23/h5,12,14-16,21H,1,6-11H2,2-4H3,(H,22,23) |
| InChIKey | PLKOJNUQWAKPNC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (Ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid (CHEBI:181099) is a diterpenoid (CHEBI:23849) |
| IUPAC Name |
|---|
| 7-ethenyl-9-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035116 | HMDB |
| 29814271 | ChemSpider |