input word = C00034972

Metabolite InformationStructural formula
Name Buddlejoside A8
Lagotisoside D
Formula C32H42O17
Mw 698.24219992
CAS RN 140187-14-0
C_ID C00034972 ,
InChIKey FTSYZMGPOMMSIZ-SNOWFEKTNA-N
InChICode InChI=1S/C32H42O17/c1-13-26(46-19(35)7-5-14-4-6-16(41-2)17(10-14)42-3)23(38)25(40)30(44-13)47-27-15-8-9-43-29(20(15)32(12-34)28(27)49-32)48-31-24(39)22(37)21(36)18(11-33)45-31/h4-10,13,15,18,20-31,33-34,36-40H,11-12H2,1-3H3/b7-5+/t13-,15-,18+,20+,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,32+/m0/s1
SMILES COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H]4C=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4[C@@]4(CO)O[C@@H]34)O[C@H]2C)cc1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja japonica Hemsl. Ref.
PlantaeScrophulariaceaeScrophularia dentata Ref.
PlantaeScrophulariaceaeScrophularia deserti Ref.
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