input word = C00023445

Metabolite InformationStructural formula
Name Friedolabdaturbinic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 107110-07-6
C_ID C00023445 ,
InChIKey LRUXWKFVLKWKRF-MTGJQGDNNA-N
InChICode InChI=1S/C20H32O3/c1-6-18(3,23)12-13-19(4)14(2)9-10-16-15(19)8-7-11-20(16,5)17(21)22/h6,8,14,16,23H,1,7,9-13H2,2-5H3,(H,21,22)/t14-,16-,18-,19+,20-/m1/s1
SMILES C1C[C@@]([C@H]2C(=C1)[C@]([C@@H](CC2)C)(CC[C@](C=C)(C)O)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium turbinatum Ref.
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OrganismEupatorium turbinatum
ReferenceJakupovic,Phytochem.,25,(1986),2677