input word = C00023482

Metabolite InformationStructural formula
Name ent-Clerod-3,13Z-dien-15-al-17-oic acid
Formula C20H30O3
Mw 318.21949482
CAS RN 126239-79-0
C_ID C00023482 ,
InChIKey CCRJBYFBLSIAHK-KEEVFCOLNA-N
InChICode InChI=1S/C20H30O3/c1-14(10-13-21)8-11-20(4)16(18(22)23)9-12-19(3)15(2)6-5-7-17(19)20/h6,10,13,16-17H,5,7-9,11-12H2,1-4H3,(H,22,23)/b14-10-/t16-,17-,19-,20+/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](CC2)C(=O)O)(CC/C(=C\C=O)/C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSymphyopappus reticulatus Ref.
PlantaeJungermanniaceaeJungermannia infusca Ref.
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OrganismSymphyopappus reticulatus
ReferenceBohlmann,Phytochem.,20,(1981),1657