Details of Herpetotriol
| IUPAC | 4-[3-(hydroxymethyl)-5-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol |
| Canonical Smiles | COC1=CC(=CC2=C1OC(C2CO)C3=CC4=C(C(=C3)OC)OC(C4CO)C5=CC(=C(C=C5)O)OC)/C=C/CO |
| Inchi | PXQVRUJZURVJHF-SNAWJCMRSA-N |
| PubChem ID | 101316963 |
| Smiles | COc1cc(C2Oc3c(OC)cc(C4Oc5c(OC)cc(/C=C/CO)cc5C4CO)cc3C2CO)ccc1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COc1cc%28C2Oc3c%28OC%29cc%28C4Oc5c%28OC%29cc%28/C%3DC/CO%29cc5C4CO%29cc3C2CO%29ccc1O/file?format=sdf&get3d=True -- COc1cc%28C2Oc3c%28OC%29cc%28C4Oc5c%28OC%29cc%28/C%3DC/CO%29cc5C4CO%29cc3C2CO%29ccc1O could not be loaded.
| Class | Neolignans |
| Super Class | Lignans |
| Pathways | Shikimates and Phenylpropanoids |
