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CHEBI:196242 - 11-Deoxytetrodotoxin
| Formula | C11H17N3O7 |
| Net Charge | 0 |
| Average Mass | 303.271 |
| Monoisotopic Mass | 303.10665 |
| SMILES | [H][C@@]12O[C@]3(O)O[C@@]([H])(C(O)[C@@]4(NC(N)=N[C@@H](O)[C@@]14[H])[C@@H]3O)[C@@]2(C)O |
| InChI | InChI=1S/C11H17N3O7/c1-9(18)4-2-6(16)13-8(12)14-10(2)3(15)5(9)21-11(19,20-4)7(10)17/h2-7,15-19H,1H3,(H3,12,13,14)/t2-,3?,4-,5+,6+,7+,9+,10-,11+/m1/s1 |
| InChIKey | XXUFXWUHBMGUMY-FDOMXQSUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 11-Deoxytetrodotoxin (CHEBI:196242) is a organic heteromonocyclic compound (CHEBI:25693) |
| 11-Deoxytetrodotoxin (CHEBI:196242) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| IUPAC Name |
|---|
| (1R,5S,6R,7R,9S,11S,13S,14S)-3-amino-14-methyl-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol |