input word = C00022731

Metabolite InformationStructural formula
Name 18-Deoxyandalusol
Formula C20H34O2
Mw 306.25588033
CAS RN 96896-75-2
C_ID C00022731 ,
InChIKey NOFWEQLJCJWTBS-OXMNSZHMNA-N
InChICode InChI=1S/C20H34O2/c1-7-14(2)9-10-16-19(5)12-8-11-18(3,4)17(19)15(21)13-20(16,6)22/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16+,17-,19+,20+/m1/s1
SMILES C=CC(=C)CC[C@@H]1[C@@](C)(O)C[C@@H](O)C2C(C)(C)CCC[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis arborescens Ref.
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