input word = C00047230

Metabolite InformationStructural formula
Name Eubol
Formula C22H34O4
Mw 362.24570957
CAS RN 65053-60-3
C_ID C00047230 ,
InChIKey MMPSMJLFQSNILL-CYCIKSNKNA-N
InChICode InChI=1S/C22H34O4/c1-13-15-6-7-16-21(4)9-5-8-20(3,12-23)17(21)10-18(26-14(2)24)22(16,11-15)19(13)25/h15-19,23,25H,1,5-12H2,2-4H3/t15-,16+,17-,18+,19+,20-,21+,22-/m1/s1
SMILES C1[C@@H]2[C@]3(C[C@@H](C1)C(=C)[C@@H]3O)[C@H](C[C@H]1[C@]2(CCC[C@@]1(CO)C)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis arguta Ref.
PlantaeLabiataeSideritis euboea Ref.
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OrganismSideritis arguta
ReferenceErtas,J.Nat.Prod.,72,(2009),500