input word = C00022514

Metabolite InformationStructural formula
Name 3beta-Acetoxy-8(17),13E-labdadien-15-oic acid
Formula C22H34O4
Mw 362.24570957
CAS RN 63399-37-1
C_ID C00022514 ,
InChIKey OMNJRQNCWHCCBZ-HINPIFBTNA-N
InChICode InChI=1S/C22H34O4/c1-14(13-20(24)25)7-9-17-15(2)8-10-18-21(4,5)19(26-16(3)23)11-12-22(17,18)6/h13,17-19H,2,7-12H2,1,3-6H3,(H,24,25)/b14-13+/t17-,18-,19+,22+/m0/s1
SMILES C=C1CCC2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxodiaceaeMetasequoia glyptostroboides Ref.
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