input word = C00022433

Metabolite InformationStructural formula
Name 13-Hydroxyballonigrinolide
Formula C20H26O6
Mw 362.17293856
CAS RN 71135-32-5
C_ID C00022433 ,
InChIKey JRBMIKVAUKDRCI-ACFFWIKBNA-N
InChICode InChI=1S/C20H26O6/c1-11-12(5-8-20(24)9-13(21)25-10-20)18(2)6-4-7-19(3)16(18)15(14(11)22)26-17(19)23/h15-16,24H,4-10H2,1-3H3/t15-,16-,18-,19+,20+/m1/s1
SMILES CC1=C(CCC2(O)COC(=O)C2)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)C32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeBallota lanata Ref.
PlantaeLabiataeLeonurus persicus Ref.
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