Details of Assafoetidnol B
IUPAC | [(2S,4aS,5R,7S,8S,8aS)-7,8-dihydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate |
Canonical Smiles | CC(=O)O[C@H]1CC[C@]2([C@H](C(=C)[C@@H]([C@H]([C@@H]2C1(C)C)O)O)COC3=CC4=C(C=C3)C=CC(=O)O4)C |
Inchi | CKPWNMFJQJVNER-DVITTYBWSA-N |
PubChem ID | 636584 |
Smiles | C=C1[C@H](O)[C@@H](O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1COc1ccc2ccc(=O)oc2c1 |
Class | Simple coumarins |
Super Class | Coumarins |
Pathways | Shikimates and Phenylpropanoids |