input word = C00036672

Metabolite InformationStructural formula
Name 9-Hydroxy-10-epi-ryanodine
9alpha-Hydroxy-10-epiryanodine
Formula C25H35NO10
Mw 509.22609635
CAS RN 137844-84-9
C_ID C00036672 ,
InChIKey REYPEWVSBJSDJC-OFOHABJSNA-N
InChICode InChI=1S/C25H35NO10/c1-12(2)22(32)16(35-14(27)13-7-6-10-26-13)23(33)18(4)11-21(31)19(22,5)25(23,34)24(36-21)15(28)17(3,29)8-9-20(18,24)30/h6-7,10,12,15-16,26,28-34H,8-9,11H2,1-5H3/t15-,16+,17+,18-,19-,20-,21-,22+,23+,24+,25+/m0/s1
SMILES [C@]12([C@]3([C@H]([C@@](CC1)(O)C)O)[C@@]1([C@@]4([C@@]2(C)C[C@](O3)([C@]1([C@]([C@H]4OC(=O)c1ccc[nH]1)(C(C)C)O)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
PlantaeLoganiaceaeSpigelia anthelmia Ref.
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OrganismSpigelia anthelmia
ReferenceHubner,Phytochem.,57,(2001),285