input word = C00047137

Metabolite InformationStructural formula
Name 15-epi-Eubol
(-)-15-epi-Eubol
Formula C22H34O4
Mw 362.24570957
CAS RN 1110699-33-6
C_ID C00047137 ,
InChIKey MMPSMJLFQSNILL-ZXFHPIRZNA-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 C1C[C@@]([C@@H]2[C@@](C1)([C@H]1[C@@]3([C@H](C2)OC(=O)C)C[C@@H](CC1)C(=C)[C@H]3O)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis arguta Ref.
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OrganismSideritis arguta
ReferenceErtas,J.Nat.Prod.,72,(2009),500