input word = C00059671

Metabolite InformationStructural formula
Name Neorehmannioside
Formula C21H36O9
Mw 432.23593275
CAS RN 1333387-64-6
C_ID C00059671
InChIKey RJNOWCISCKYSDF-UGNFREKHSA-N
InChICode InChI=1S/C21H36O9/c1-12(7-10-22)5-9-21(28)19(2,3)14(24)6-8-20(21,4)30-18-17(27)16(26)15(25)13(11-23)29-18/h5,7,9,13-18,22-28H,6,8,10-11H2,1-4H3/b9-5+,12-7+/t13-,14+,15-,16+,17-,18+,20-,21-/m1/s1
SMILES CC(C=CC1(O)C(C)(OC2OC(CO)C(O)C(O)C2O)CCC(O)C1(C)C)=CCO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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