input word = C00038657

Metabolite InformationStructural formula
Name Buddlejoside B
(-)-Buddlejoside B
Formula C22H26O12
Mw 482.1424263
CAS RN 774244-17-6
C_ID C00038657 ,
InChIKey LNWDBCZJPZTNQI-MKVYJLLSNA-N
InChICode InChI=1S/C22H26O12/c23-7-15-17(27)18(28)19(29)22(33-15)34-21-16-10(6-13(25)11(16)3-4-31-21)8-32-20(30)9-1-2-12(24)14(26)5-9/h1-6,11,13,15-19,21-29H,7-8H2/t11-,13+,15-,16-,17+,18+,19-,21+,22+/m1/s1
SMILES O=C(OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12)c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja crispa Ref.
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