input word = C00048381

Metabolite InformationStructural formula
Name Epiadejone diacetate
Formula C23H34O5
Mw 390.2406242
CAS RN 1177426-09-3
C_ID C00048381 ,
InChIKey NCSYZCFTTYSTDM-NFSPXMPCNA-N
InChICode InChI=1S/C23H34O5/c1-14(24)27-13-21(3)8-5-9-22(4)18-7-6-16-11-23(18,12-17(16)26)20(10-19(21)22)28-15(2)25/h16,18-20H,5-13H2,1-4H3/t16-,18+,19-,20+,21-,22+,23-/m1/s1
SMILES CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@]13CC(=O)[C@H](CC[C@@H]21)C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis soluta Ref.
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OrganismSideritis soluta
ReferenceFraga,Phytochem.,70,(2009),1038