input word = C00022406

Metabolite InformationStructural formula
Name (ent)-8-alpha-Hydroxy-13(16),14-labdadien-19-oic acid
Formula C20H32O3
Mw 320.23514489
CAS RN 96890-00-5
C_ID C00022406 ,
InChIKey TULQSOIJEHVLNT-KKMVLEGPNA-N
InChICode InChI=1S/C20H32O3/c1-6-14(2)8-9-16-18(3)11-7-12-19(4,17(21)22)15(18)10-13-20(16,5)23/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16-,18-,19+,20-/m0/s1
SMILES C1C[C@]([C@@H]2[C@](C1)([C@@H]([C@@](CC2)(C)O)CCC(=C)C=C)C)(C(=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis varoi Ref.
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