input word = C00031190

Metabolite InformationStructural formula
Name Rosmadial
(-)-Rosmadial
Formula C20H24O5
Mw 344.16237388
CAS RN 85514-31-4
C_ID C00031190 ,
InChIKey JBWRHBJFAVSAMJ-CDESSEEXNA-N
InChICode InChI=1S/C20H24O5/c1-11(2)13-8-12(9-21)15-17(16(13)23)25-18(24)20(15)7-5-6-19(3,4)14(20)10-22/h8-11,14,23H,5-7H2,1-4H3/t14-,20+/m0/s1
SMILES c1c(c(c2c(c1C=O)[C@]1(C(=O)O2)[C@H](C(CCC1)(C)C)C=O)O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeRosmarinus officinalis Ref.
PlantaeLabiataeSalvia africana-lutea Ref.
PlantaeLabiataeSalvia officinalis Ref.
PlantaeLabiataeSalvia przewalskii Ref.
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