input word = C00023513

Metabolite InformationStructural formula
Name ent-3-Clerodene-15,16:19,6-diolide
Formula C20H26O4
Mw 330.18310932
CAS RN 71051-91-7
C_ID C00023513 ,
InChIKey ZZYXIZIKWYOQPA-VTFHOBENNA-N
InChICode InChI=1S/C20H26O4/c1-12-9-16-20(3)14(18(22)24-16)5-4-6-15(20)19(12,2)8-7-13-10-17(21)23-11-13/h5,10,12,15-16H,4,6-9,11H2,1-3H3/t12-,15-,16+,19+,20-/m1/s1
SMILES C[C@@H]1C[C@@H]2OC(=O)C3=CCC[C@H]([C@@]1(C)CCC1=CC(=O)OC1)[C@@]32C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Symphiopappus itatiayensis Ref.
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