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CHEBI:9947 - veracevine
| Formula | C27H43NO8 |
| Net Charge | 0 |
| Average Mass | 509.640 |
| Monoisotopic Mass | 509.29887 |
| SMILES | [H][C@@]12CC[C@@]3([H])[C@]4(C)CC[C@H](O)[C@@]3(O)O[C@]14C[C@@]1(O)[C@]3([H])CN4C[C@@H](C)CC[C@@]4([H])[C@@](C)(O)[C@@]3(O)[C@@H](O)C[C@@]21O |
| InChI | InChI=1S/C27H43NO8/c1-14-4-7-18-22(3,31)26(34)17(12-28(18)11-14)24(33)13-25-16(23(24,32)10-20(26)30)6-5-15-21(25,2)9-8-19(29)27(15,35)36-25/h14-20,29-35H,4-13H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-/m0/s1 |
| InChIKey | MZHXYVMEVBEFAL-XXFAKQOHSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| veracevine (CHEBI:9947) has parent hydride cevane (CHEBI:35651) |
| veracevine (CHEBI:9947) has role insecticide (CHEBI:24852) |
| veracevine (CHEBI:9947) is a alkaloid (CHEBI:22315) |
| veracevine (CHEBI:9947) is a cyclic hemiketal (CHEBI:59780) |
| veracevine (CHEBI:9947) is a heptol (CHEBI:62610) |
| veracevine (CHEBI:9947) is a secondary alcohol (CHEBI:35681) |
| veracevine (CHEBI:9947) is a tertiary alcohol (CHEBI:26878) |
| veracevine (CHEBI:9947) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 4α,9-epoxycevane-3β,4β,12,14,16β,17,20-heptol |
| Synonyms | Source |
|---|---|
| 4,9-epoxycevane-3β,4β,12,14,16β,17,20-heptol | ChemIDplus |
| Cevane-3-beta,4-beta,12,14,16-beta,17,20-heptol, 4,9-epoxy- | KEGG COMPOUND |
| Protocevin | ChemIDplus |
| Protocevine | ChemIDplus |
| Veracevin | ChemIDplus |
| Veracevine | KEGG COMPOUND |
| Citations |
|---|