input word = C00005345

Metabolite InformationStructural formula
Name Rhodalidin
Formula C26H28O16
Mw 596.13773485
CAS RN 94696-37-4
C_ID C00005345 ,
InChIKey KAMNGBDKYCAJCF-YLBOJCBWNA-N
InChICode InChI=1S/C26H28O16/c27-6-13-16(33)18(35)20(37)26(39-13)42-24-17(34)14-10(29)5-11(30)22(41-25-19(36)15(32)12(31)7-38-25)23(14)40-21(24)8-1-3-9(28)4-2-8/h1-5,12-13,15-16,18-20,25-33,35-37H,6-7H2/t12-,13+,15-,16+,18-,19-,20+,25-,26-/m0/s1
SMILES c1(cc(c2c(c1O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeRhodiola rosea Ref.
PlantaeCrassulaceaeSedum takesimense Nakai Ref.
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