input word = C00022289

Metabolite InformationStructural formula
Name 18-Hydroxyballonigrine
Formula C20H24O5
Mw 344.16237388
CAS RN 69075-71-4
C_ID C00022289 ,
InChIKey UXHCZRFVCSRDDI-YWTSGMDRNA-N
InChICode InChI=1S/C20H24O5/c1-12-14(5-4-13-6-9-24-10-13)19(2)7-3-8-20(11-21)17(19)16(15(12)22)25-18(20)23/h6,9-10,16-17,21H,3-5,7-8,11H2,1-2H3/t16-,17-,19-,20-/m1/s1
SMILES CC1=C(CCc2ccoc2)[C@@]2(C)CCC[C@]3(CO)C(=O)O[C@H](C1=O)[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeBallota acetabulosa Ref.
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