input word = C00035237

Metabolite InformationStructural formula
Name 7,8-Didehydrofruticolone
Formula C22H28O6
Mw 388.18858863
CAS RN 66450-98-4
C_ID C00035237 ,
InChIKey GYHZFNZXWDGMAW-GIZNEBATNA-N
InChICode InChI=1S/C22H28O6/c1-14-10-18(25)22(13-27-15(2)23)19(17(24)5-8-21(22)12-28-21)20(14,3)7-4-16-6-9-26-11-16/h6,9-11,17,19,24H,4-5,7-8,12-13H2,1-3H3/t17-,19+,20-,21-,22+/m0/s1
SMILES C1=C([C@@]([C@@H]2[C@@](C1=O)([C@]1(CC[C@@H]2O)CO1)COC(=O)C)(CCc1cocc1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeTeucrium fruticans L. Ref.
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