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 CC1OC(OCC2OC(OCCc3ccc(O)c(O)c3)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeDigitalis purpurea Ref.
PlantaeScrophulariaceaeRehmannia glutinosa Ref.
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