input word = C00022225

Metabolite InformationStructural formula
Name (E)-ent-3beta-3,18-Dihydroxy-8(17),13-labdadien-15-oic acid
Formula C20H32O4
Mw 336.23005951
CAS RN 99624-39-2
C_ID C00022225 ,
InChIKey PZEKZRHZHHZLOB-INOBHUJWNA-N
InChICode InChI=1S/C20H32O4/c1-13-6-7-17-19(3,9-5-10-20(17,4)18(23)24)15(13)12-16(22)14(2)8-11-21/h8,15-17,21-22H,1,5-7,9-12H2,2-4H3,(H,23,24)/b14-8+/t15-,16-,17-,19+,20-/m0/s1
SMILES C1C[C@]([C@@H]2[C@](C1)([C@H](C(=C)CC2)C[C@@H](/C(=C/CO)/C)O)C)(C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGutierrezia solbrigii Ref.
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