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 C1C[C@]2([C@@H]3[C@](C1)([C@@]1([C@]4(C[C@H]3OC(=O)C)OC4)O[C@@]3(CC1)COC=C3)COC2=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonotis nepetaefolia Ref.
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