input word = C00037775

Metabolite InformationStructural formula
Name Salvianolic acid E
Formula C36H30O16
Mw 718.15338491
CAS RN 142998-46-7
C_ID C00037775 ,
InChIKey MWNFNYUUCOWPEJ-LWSHJDJPNA-N
InChICode InChI=1S/C36H30O16/c37-23-5-1-17(10-26(23)40)9-22(36(50)52-32(35(48)49)14-19-3-7-25(39)28(42)12-19)21-16-30(44)29(43)15-20(21)4-8-33(45)51-31(34(46)47)13-18-2-6-24(38)27(41)11-18/h1-12,15-16,31-32,37-44H,13-14H2,(H,46,47)(H,48,49)/b8-4+,22-9+/t31-,32-/m1/s1
SMILES c1(/C=C/C(=O)O[C@H](Cc2cc(c(cc2)O)O)C(=O)O)c(cc(c(c1)O)O)/C(=C\c1ccc(c(c1)O)O)/C(=O)O[C@H](Cc1cc(c(cc1)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataeSalvia miltiorrhiza Ref.
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OrganismSalvia miltiorrhiza
ReferenceLu,Phytochem.,59,(2002),117