input word = C00022201

Metabolite InformationStructural formula
Name Trixagodiol B
Formula C20H34O2
Mw 306.25588033
CAS RN 83631-58-7
C_ID C00022201 ,
InChIKey RCJPBQXKRJHRGW-XYDOOMBPNA-N
InChICode InChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h12,18-19,21-22H,2-3,6-11,13-14H2,1,4-5H3/b15-12+/t18-,19+/m1/s1
SMILES C=C(CC[C@@H]1C(=C)CCCC1(C)C)C(O)CC/C(C)=C/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOrobanchaceaeBellardia trixago Ref.
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