input word = C00036922

Metabolite InformationStructural formula
Name Columbaridione
Formula C20H24O5
Mw 344.16237388
CAS RN 156162-09-3
C_ID C00036922 ,
InChIKey ZGIOOTXNBWWRKD-AMCNYBMANA-N
InChICode InChI=1S/C20H24O5/c1-9(2)12-15(21)13-10-8-11-19(3,4)6-5-7-20(11,18(24)25-10)14(13)17(23)16(12)22/h9-11,22H,5-8H2,1-4H3/t10-,11-,20+/m0/s1
SMILES C1CC([C@H]2[C@]3(C1)C1=C([C@H](C2)OC3=O)C(=O)C(=C(C1=O)O)C(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia columbariae Ref.
PlantaeLabiataeSalvia officinalis Ref.
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