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 C1=C[C@H]2[C@H]([C@@H](O1)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C(=C[C@@H]2O)COC(=O)c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBuddlejaceaeBuddleja crispa Ref.
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