input word = C00022489

Metabolite InformationStructural formula
Name 2beta-Acetoxy-8(17),13Z-labdadien-15-oic acid
Formula C22H34O4
Mw 362.24570957
CAS RN 116425-87-7
C_ID C00022489 ,
InChIKey VMWOMELLRUSCGH-ABIQNDJGNA-N
InChICode InChI=1S/C22H34O4/c1-14(11-20(24)25)7-9-18-15(2)8-10-19-21(4,5)12-17(26-16(3)23)13-22(18,19)6/h11,17-19H,2,7-10,12-13H2,1,3-6H3,(H,24,25)/b14-11-/t17-,18+,19+,22-/m1/s1
SMILES [C@H]1(CC([C@H]2[C@](C1)([C@H](C(=C)CC2)CC/C(=C\C(=O)O)/C)C)(C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNolana filifolia rostrata Ref.
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