input word = C00023498

Metabolite InformationStructural formula
Name ent-4(18)-13E-Clerodadien-15-oic acid
Formula C20H32O2
Mw 304.24023027
CAS RN 52936-75-1
C_ID C00023498 ,
InChIKey XSMNGDCOAWRVBS-NLLAJEERNA-N
InChICode InChI=1S/C20H32O2/c1-14(13-18(21)22)9-11-19(4)16(3)10-12-20(5)15(2)7-6-8-17(19)20/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13+/t16-,17-,19+,20+/m1/s1
SMILES C=C1CCC[C@@H]2[C@@](C)(CC/C(C)=C/C(=O)O)[C@H](C)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraucariaceaeAraucaria bidwillii Ref.
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