input word = C00022384

Metabolite InformationStructural formula
Name Nepetefuranol
Formula C22H30O8
Mw 422.19406794
CAS RN 29722-58-5
C_ID C00022384 ,
InChIKey QPHXARQNOYUENR-ATGJGFDTNA-N
InChICode InChI=1S/C22H30O8/c1-14(24)30-16-10-21(26,12-23)22(27,8-4-15-5-9-28-11-15)20-7-3-6-19(2,17(16)20)18(25)29-13-20/h5,9,11,16-17,23,26-27H,3-4,6-8,10,12-13H2,1-2H3/t16-,17-,19+,20-,21-,22+/m1/s1
SMILES O1C(=O)[C@@]2([C@@H]3[C@@](C1)([C@]([C@@](C[C@H]3OC(=O)C)(CO)O)(CCc1ccoc1)O)CCC2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonotis nepetaefolia Ref.
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