loading...| Preferred Name |
ryanodine |
|
| Synonyms |
Ryanodine (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate Ryania ryanodol, 3-(1H-pyrrole-2-carboxylate) Ryanodin (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-7-isopropyl-3,6a,9-trimethyldodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate |
|
| Definitions |
An insecticide alkaloid isolated from South American plant Ryania speciosa. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8925 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:6079034 KEGG:C08705 BPDB:2067 CAS:15662-33-6 KNApSAcK:C00001661 |
|
| definition |
An insecticide alkaloid isolated from South American plant Ryania speciosa. |
|
| formula |
C25H35NO9 |
|
| has role | ||
| has_exact_synonym |
Ryanodine (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Ryania ryanodol, 3-(1H-pyrrole-2-carboxylate) Ryanodin (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-7-isopropyl-3,6a,9-trimethyldodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate |
|
| id |
CHEBI:8925 |
|
| in_subset | ||
| inchi |
InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1 |
|
| inchikey |
JJSYXNQGLHBRRK-SFEDZAPPSA-N |
|
| label |
ryanodine |
|
| mass |
493.54674 |
|
| monoisotopicmass |
493.23118 |
|
| notation |
CHEBI:8925 |
|
| prefLabel |
ryanodine |
|
| smiles |
CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]14C |
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| treeView | ||
| subClassOf |