Details of NEOCLOROGENIC-ACID
| IUPAC | (E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid |
| Canonical Smiles | CC(=CCCC1(CC(C2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)O)C)C |
| Inchi | BLDWFKHVHHINGR-FYJGNVAPSA-N |
| PubChem ID | 6438568 |
| Smiles | CC(C)=CCCC1(C)CC(O)c2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(=CC4CC1C(C)(C)OC2(C=CC(C)C(=O)O)C4=O)C3=O |
| Class | Terpenoids |
| Super Class | Shikimates and Phenylpropanoids |
| Pathways | Polyketides |
