input word = C00042225

Metabolite InformationStructural formula
Name Amethystonoic acid
(-)-Amethystonoic acid
Formula C20H28O6
Mw 364.18858863
CAS RN 91379-74-7
C_ID C00042225 ,
InChIKey XQDWXCVQCUOQHW-MFQMURHVNA-N
InChICode InChI=1S/C20H28O6/c1-9-14-10(21)7-12-18(2)5-4-6-19(3,17(25)26)11(18)8-13(22)20(12,15(9)23)16(14)24/h10-14,16,21-22,24H,1,4-8H2,2-3H3,(H,25,26)/t10-,11-,12-,13+,14+,16+,18+,19-,20-/m0/s1
SMILES [C@@H]1([C@@]23[C@@H](C[C@@H]([C@H]1C(=C)C3=O)O)[C@]1([C@H](C[C@H]2O)[C@@](CCC1)(C)C(=O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon albopilosus Ref.
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