input word = C00001661

Metabolite InformationStructural formula
Name Ryanodine
Formula C25H35NO9
Mw 493.23118172
CAS RN 15662-33-6
C_ID C00001661 ,
InChIKey JJSYXNQGLHBRRK-CUAIRPEJNA-N
InChICode 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
SMILES [C@@]12([C@]34O[C@@]5([C@]1([C@@]([C@H]([C@]2([C@]([C@@]3(O)CC[C@@H]([C@H]4O)C)(C5)C)O)OC(=O)c1ccc[nH]1)(O)C(C)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLoganiaceaeSpigelia anthelmia Ref.
PlantaeSamydaceaeRyania speciosa Ref.
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