input word = C00010626

Metabolite InformationStructural formula
Name Rehmannioside D
Formula C27H42O20
Mw 686.22694379
CAS RN 81720-08-3
C_ID C00010626 ,
InChIKey JQEFRKPLHFKTFL-CUHCJJBBNA-N
InChICode InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-21(40)18(37)15(34)10(6-30)43-25)47-26-22(19(38)16(35)11(7-31)44-26)45-24-20(39)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10+,11+,12+,13-,14+,15+,16+,17-,18-,19-,20-,21-,22-,23-,24-,25+,26-,27-/m0/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O)O)CO)O[C@@]12[C@H]([C@@H](OC=C1)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)C(=C[C@H]2O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum inerme Ref.
PlantaePlantaginaceaeAragoa cundinamarcensis Ref.
PlantaePlantaginaceaePlantago major Ref.
PlantaePlantaginaceaePlantago maritima Ref.
PlantaeRutaceaePhellodendron amurense Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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