input word = C00031511

Metabolite InformationStructural formula
Name 15-Epileopersin C
15-epi-Leopersin C
Formula C22H34O7
Mw 410.23045344
CAS RN 875433-07-1
C_ID C00031511 ,
InChIKey MQPMGKLFGUHSOG-COUQHRJFNA-N
InChICode InChI=1S/C22H34O7/c1-13(23)28-20(5)17(26)15(25)16-18(2,3)7-6-8-19(16,4)22(20)10-9-21(29-22)11-14(24)27-12-21/h14,16-17,24,26H,6-12H2,1-5H3/t14-,16+,17+,19+,20+,21-,22+/m1/s1
SMILES [C@@]1([C@H](C(=O)[C@@H]2[C@@]([C@@]31O[C@]1(CC3)C[C@@H](OC1)O)(CCCC2(C)C)C)O)(C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus heterophyllus SW. Ref.
PlantaeLabiataeOtostegia fruticosa Ref.
PlantaeLabiataeOtostegia integrifolia Ref.
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OrganismOtostegia fruticosa
ReferenceAl-Musayeib,Phytochem.,54,(2000),771