input word = C00000888

Metabolite InformationStructural formula
Name Labdenediol
13E-Labdene-8alpha,15-diol
Formula C20H36O2
Mw 308.27153039
CAS RN 10267-31-9
C_ID C00000888 ,
InChIKey LEOHDQKUMQKLMP-GXRXATSSNA-N
InChICode InChI=1S/C20H36O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h10,16-17,21-22H,6-9,11-14H2,1-5H3/b15-10+/t16-,17+,19-,20+/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@H]([C@](CC2)(C)O)CC/C(=C/CO)/C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJungermanniaceaeJungermannia infusca Ref.
PlantaeSolanaceaeNicotiana glutinosa Ref.
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