input word = C00022753

Metabolite InformationStructural formula
Name 6-Acetylandalusol
Formula C22H36O4
Mw 364.26135964
CAS RN 77877-69-1
C_ID C00022753 ,
InChIKey LMNJWVHEXIESCY-DORHINJWNA-N
InChICode InChI=1S/C22H36O4/c1-7-15(2)9-10-18-21(5)12-8-11-20(4,14-23)19(21)17(26-16(3)24)13-22(18,6)25/h7,17-19,23,25H,1-2,8-14H2,3-6H3/t17-,18+,19-,20-,21+,22+/m1/s1
SMILES C=CC(=C)CC[C@@H]1[C@@](C)(O)C[C@@H](OC(C)=O)C2[C@@](C)(CO)CCC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis foetens Ref.
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