GT0
Summary
| Name: | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol |
| Synonyms: | ginkgotoxin |
| Formula: | C9 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 183.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol |
| OpenEye OEToolkits | 1.7.6 | 5-(hydroxymethyl)-4-(methoxymethyl)-2-methyl-pyridin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Oc1c(c(cnc1C)CO)COC |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO3/c1-6-9(12)8(5-13-2)7(4-11)3-10-6/h3,11-12H,4-5H2,1-2H3 |
| InChIKey | InChI | 1.03 | SVINQHQHARVZFF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COCc1c(O)c(C)ncc1CO |
| SMILES | CACTVS | 3.370 | COCc1c(O)c(C)ncc1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c(cn1)CO)COC)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c(cn1)CO)COC)O |
