input word = C00041823

Metabolite InformationStructural formula
Name Salvinorin C
(+)-Salvinorin C
Formula C25H30O9
Mw 474.18898256
CAS RN 385785-99-9
C_ID C00041823 ,
InChIKey FQPFAKLWYQMQER-SQSMMYFGNA-N
InChICode InChI=1S/C25H30O9/c1-13(26)32-18-10-17(22(28)30-5)24(3)8-6-16-23(29)34-19(15-7-9-31-12-15)11-25(16,4)21(24)20(18)33-14(2)27/h7,9-10,12,16,18-21H,6,8,11H2,1-5H3/t16-,18-,19-,20-,21-,24?,25-/m0/s1
SMILES COC(=O)C1=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@@H]3CC[C@@]12C
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