input word = C00035379

Metabolite InformationStructural formula
Name Purpureaside B
Formula C35H46O20
Mw 786.25824391
CAS RN 104777-69-7
C_ID C00035379 ,
InChIKey CBVKMAVNTVJDHT-QPJJXVBHNA-N
InChICode InChI=1S/C35H46O20/c1-14-24(42)26(44)28(46)33(51-14)50-13-22-31(54-23(41)7-4-15-2-5-17(37)19(39)10-15)32(55-35-29(47)27(45)25(43)21(12-36)52-35)30(48)34(53-22)49-9-8-16-3-6-18(38)20(40)11-16/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21-,22-,24-,25-,26+,27+,28-,29-,30-,31-,32-,33-,34-,35+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)CO[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)OC(=O)/C=C/c1cc(c(cc1)O)O)O[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O)OCCc1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeDigitalis purpurea Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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OrganismRehmannia glutinosa
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Shoyama, et al., Phytochemistry, 25, (1986), 1633.

Matsumoto, et al., Phytochemistry, 26, (1987), 3225