input word = C00047345

Metabolite InformationStructural formula
Name Salvinicin B
(-)-Salvinicin B
Formula C25H36O12
Mw 528.22067662
CAS RN 862075-01-2
C_ID C00047345 ,
InChIKey QEBAQEQKIKWXTO-YUOADSOZNA-N
InChICode InChI=1S/C25H36O12/c1-11(26)35-14-9-13(19(29)32-4)23(2)8-7-12-20(30)36-15(10-24(12,3)17(23)16(14)27)25(31)18(28)21(33-5)37-22(25)34-6/h12-15,17-18,21-22,28,31H,7-10H2,1-6H3/t12-,13-,14-,15-,17-,18+,21+,22-,23-,24-,25-/m0/s1
SMILES C1[C@]2([C@H](C(=O)O[C@@H]1[C@@]1([C@@H]([C@@H](O[C@@H]1OC)OC)O)O)CC[C@@]1([C@@H]2C(=O)[C@H](C[C@H]1C(=O)OC)OC(=O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia divinorum Ref.
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OrganismSalvia divinorum
ReferencePrisinzano,J.Nat.Prod.,72,(2009),581