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 C1C[C@@]2(C(=O)O[C@@H]3C(=O)C(=C([C@@](C1)([C@H]23)C)CCc1cocc1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeBallota nigra Ref.
PlantaeLabiataeBallota rupestris Ref.
PlantaeLabiataeOtostegia fruticosa Ref.
PlantaeLabiataeOtostegia integrifolia Ref.
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