input word = C00022287

Metabolite InformationStructural formula
Name Ballonigrin
Ballonigrine
Formula C20H24O4
Mw 328.16745925
CAS RN 62340-62-9
C_ID C00022287 ,
InChIKey FREUGTILYKJVRL-HRSLERGPNA-N
InChICode InChI=1S/C20H24O4/c1-12-14(6-5-13-7-10-23-11-13)19(2)8-4-9-20(3)17(19)16(15(12)21)24-18(20)22/h7,10-11,16-17H,4-6,8-9H2,1-3H3/t16-,17-,19-,20+/m1/s1
SMILES CC1=C(CCc2ccoc2)[C@@]2(C)CCC[C@]3(C)C(=O)O[C@H](C1=O)[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeBallota nigra Ref.
PlantaeLabiataeBallota rupestris Ref.
PlantaeLabiataeOtostegia fruticosa Ref.
PlantaeLabiataeOtostegia integrifolia Ref.
zoom in



OrganismBallota nigra
ReferenceSavona,J. Chem. Soc. Perkin Trans. I,(1977),322