input word = C00023477

Metabolite InformationStructural formula
Name ent-17-Hydroxy-3,13E-clerodadien-15-al
Formula C20H32O2
Mw 304.24023027
CAS RN
C_ID C00023477 ,
InChIKey UKTMDPQNAINTJT-VDMXAYNXNA-N
InChICode InChI=1S/C20H32O2/c1-15(10-13-21)8-11-20(4)17(14-22)9-12-19(3)16(2)6-5-7-18(19)20/h6,10,13,17-18,22H,5,7-9,11-12,14H2,1-4H3/b15-10+/t17-,18-,19-,20+/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](CC2)CO)(CC/C(=C/C=O)/C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSymphyopappus reticulatus Ref.
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