input word = C00023508

Metabolite InformationStructural formula
Name ent-3,13(16),14-Clerodatrien-17-al
Formula C20H30O
Mw 286.22966558
CAS RN 126286-67-7
C_ID C00023508 ,
InChIKey ISIROQTVCVWGKK-WPZZULIINA-N
InChICode InChI=1S/C20H30O/c1-6-15(2)10-12-20(5)17(14-21)11-13-19(4)16(3)8-7-9-18(19)20/h6,8,14,17-18H,1-2,7,9-13H2,3-5H3/t17-,18-,19-,20+/m0/s1
SMILES C=CC(=C)CC[C@@]1(C)[C@H](C=O)CC[C@@]2(C)C(C)=CCC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJungermanniaceaeJungermannia infusca Ref.
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OrganismJungermannia infusca
ReferenceToyota,Phytochem.,28,(1989),3415