input word = C00023342

Metabolite InformationStructural formula
Name Nepetefolin
Formula C22H28O7
Mw 404.18350325
CAS RN 29606-32-4
C_ID C00023342 ,
InChIKey ITQNNYKKNNEJKM-MOMUKBTGNA-N
InChICode InChI=1S/C22H28O7/c1-14(23)28-15-10-21(13-27-21)22(7-6-19(29-22)8-9-25-11-19)20-5-3-4-18(2,16(15)20)17(24)26-12-20/h8-9,15-16H,3-7,10-13H2,1-2H3/t15-,16-,18+,19-,20-,21-,22+/m1/s1
SMILES CC(=O)O[C@@H]1C[C@@]2(CO2)[C@]2(CC[C@]3(C=COC3)O2)[C@]23CCC[C@](C)(C(=O)OC2)C13
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonotis nepetaefolia Ref.
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