input word = C00022733

Metabolite InformationStructural formula
Name ent-8alpha-Hydroxy-13(16),14-labdadiene-18-al
Formula C22H36O3
Mw 348.26644502
CAS RN 70868-54-1
C_ID C00022733 ,
InChIKey ZUWUGTGWALXKQP-MWBNXHLJNA-N
InChICode InChI=1S/C22H36O3/c1-7-16(2)9-10-19-21(5)13-8-12-20(4,15-25-17(3)23)18(21)11-14-22(19,6)24/h7,18-19,24H,1-2,8-15H2,3-6H3/t18-,19+,20-,21-,22+/m1/s1
SMILES C1C[C@@]([C@@H]2[C@@](C1)([C@@H]([C@](CC2)(O)C)CCC(=C)C=C)C)(COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis varoi Ref.
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