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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