input word = C00023479

Metabolite InformationStructural formula
Name ent-3,13E-Clerodadiene-15,17-dial
Formula C20H30O2
Mw 302.2245802
CAS RN 126239-82-5
C_ID C00023479 ,
InChIKey GFRWNCUQTMDADX-VDMXAYNXNA-N
InChICode InChI=1S/C20H30O2/c1-15(10-13-21)8-11-20(4)17(14-22)9-12-19(3)16(2)6-5-7-18(19)20/h6,10,13-14,17-18H,5,7-9,11-12H2,1-4H3/b15-10+/t17-,18-,19-,20+/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](CC2)C=O)(CC/C(=C/C=O)/C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJungermanniaceaeJungermannia infusca Ref.
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