input word = C00022491

Metabolite InformationStructural formula
Name 3-Oxo-18-acetoxy-8(17),13Z-labdadien-15-oic acid
Formula C22H32O5
Mw 376.22497413
CAS RN 107390-51-2
C_ID C00022491 ,
InChIKey TWVOYMZVGMHUFF-PMRVJQNVNA-N
InChICode InChI=1S/C22H32O5/c1-14(12-20(25)26)6-8-17-15(2)7-9-18-21(17,4)11-10-19(24)22(18,5)13-27-16(3)23/h12,17-18H,2,6-11,13H2,1,3-5H3,(H,25,26)/b14-12-/t17-,18-,21+,22-/m0/s1
SMILES C1C(=O)[C@]([C@@H]2[C@](C1)([C@H](C(=C)CC2)CC/C(=C\C(=O)O)/C)C)(COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeNolana rostrata Ref.
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OrganismNolana rostrata
ReferenceGarbarino,Phytochem.,25,(1986),2833