input word = C00023519

Metabolite InformationStructural formula
Name ent-4alpha,18-Epoxy-15-Clerodanoic acid
Formula C20H34O3
Mw 322.25079495
CAS RN 120662-28-4
C_ID C00023519 ,
InChIKey PUHARPBFZXPUIA-ICLBWAPRNA-N
InChICode InChI=1S/C20H34O3/c1-14(12-17(21)22)7-10-18(3)15(2)8-11-19(4)16(18)6-5-9-20(19)13-23-20/h14-16H,5-13H2,1-4H3,(H,21,22)/t14-,15+,16?,18-,19+,20+/m0/s1
SMILES C1C[C@]2([C@]3([C@H](C1)[C@@]([C@@H](CC3)C)(C)CC[C@@H](CC(=O)O)C)C)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgeratina ixiocladon Ref.
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OrganismAgeratina ixiocladon
ReferenceTanayo-Castillo,Phytochem.,28,(1989),139