input word = C00022429

Metabolite InformationStructural formula
Name Rupestralic acid
Formula C20H24O6
Mw 360.1572885
CAS RN 65408-90-4
C_ID C00022429 ,
InChIKey ODXDQNDOZZLJEE-ZHKRCKLVNA-N
InChICode InChI=1S/C20H24O6/c1-10-12(6-5-11-9-13(21)25-17(11)23)19(2)7-4-8-20(3)16(19)15(14(10)22)26-18(20)24/h9,13,15-16,21H,4-8H2,1-3H3/t13-,15+,16+,19+,20-/m0/s1
SMILES C1C[C@@]2(C(=O)O[C@@H]3C(=O)C(=C([C@](C1)(C)[C@H]23)CCC1=C[C@H](OC1=O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeBallota rupestris Ref.
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