XP6
Summary
| Name: | Norbaeocystin |
| Synonyms: | [3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate |
| Formula: | C10 H13 N2 O4 P |
| Formal charge: | 0 |
| Formula weight: | 256.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-(2-azanylethyl)-1~{H}-indol-4-yl] dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H13N2O4P/c11-5-4-7-6-12-8-2-1-3-9(10(7)8)16-17(13,14)15/h1-3,6,12H,4-5,11H2,(H2,13,14,15) |
| InChIKey | InChI | 1.06 | IKQGYCWFBVEAKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 |
| SMILES | CACTVS | 3.385 | NCCc1c[nH]c2cccc(O[P](O)(O)=O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)OP(=O)(O)O)c(c[nH]2)CCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)OP(=O)(O)O)c(c[nH]2)CCN |
