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.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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OrganismClerodendrum inerme
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Oshio, et al., Phytochemistry, 21, (1982), 133.

Chem Abstr, 120, (1994), P208577x.

Kanchanapoom, et al., Phytochemistry, 58, (2001), 333