input word = C00041825

Metabolite InformationStructural formula
Name Salvinorin E
(+)-Salvinorin E
Formula C23H28O8
Mw 432.17841787
CAS RN 540770-14-7
C_ID C00041825 ,
InChIKey IGQMBQQLKAUYLJ-LYBFBSBTNA-N
InChICode InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8-9,11,14,16-19,25H,5,7,10H2,1-4H3/t14-,16-,17-,18-,19-,22-,23-/m0/s1
SMILES C1[C@]2([C@H](C(=O)O[C@@H]1c1cocc1)CC[C@@]1([C@@H]2[C@H]([C@H](C=C1C(=O)OC)OC(=O)C)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia divinorum Ref.
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OrganismSalvia divinorum
ReferenceShirota,J.Nat.Prod.,69,(2006),1782