input word = C00022288

Metabolite InformationStructural formula
Name Ballonigrinone
Formula C20H22O5
Mw 342.14672381
CAS RN 62340-63-0
C_ID C00022288 ,
InChIKey BAQUTBLEBXGWDT-HRSLERGPNA-N
InChICode InChI=1S/C20H22O5/c1-11-13(5-4-12-7-9-24-10-12)19(2)8-6-14(21)20(3)17(19)16(15(11)22)25-18(20)23/h7,9-10,16-17H,4-6,8H2,1-3H3/t16-,17-,19-,20+/m1/s1
SMILES C1C(=O)[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 rupestris Ref.
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