input word = C00022780

Metabolite InformationStructural formula
Name 2alpha-Hydroxy-3-oxo-4betaH-ent-cleroda-13(16),14-diene-15,16-oxide
Formula C20H30O3
Mw 318.21949482
CAS RN 120838-00-8
C_ID C00022780 ,
InChIKey JSJAQPXCRQOCSF-TXFMEXIGNA-N
InChICode InChI=1S/C20H30O3/c1-13-5-8-20(4)14(2)18(22)16(21)11-17(20)19(13,3)9-6-15-7-10-23-12-15/h7,10,12-14,16-17,21H,5-6,8-9,11H2,1-4H3/t13-,14-,16-,17-,19+,20-/m1/s1
SMILES C[C@@H]1CC[C@]2(C)[C@H](C[C@@H](O)C(=O)[C@H]2C)[C@@]1(C)CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis boliviensis Ref.
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OrganismBaccharis boliviensis
ReferenceZdero,Phytochem.,28,(1989),531