input word = C00022269

Metabolite InformationStructural formula
Name 3alpha-Hydroxygomeric acid
Formula C20H34O4
Mw 338.24570957
CAS RN 107390-46-5
C_ID C00022269 ,
InChIKey XBLJAVLLTSKQKX-JZLBDIOBNA-N
InChICode InChI=1S/C20H34O4/c1-17(2)13-7-11-20(5)14(19(13,4)10-8-15(17)21)6-9-18(3,24-20)12-16(22)23/h13-15,21H,6-12H2,1-5H3,(H,22,23)/t13-,14+,15-,18+,19-,20+/m1/s1
SMILES CC1(C)[C@H](O)CC[C@]2(C)[C@@H]1CC[C@]1(C)O[C@](C)(CC(=O)O)CC[C@@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis nutans Ref.
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