input word = C00002772

Metabolite InformationStructural formula
Name Salvianolic acid A
Formula C26H22O10
Mw 494.12129692
CAS RN 96574-01-5
C_ID C00002772 ,
InChIKey YMGFTDKNIWPMGF-PMSINNGSNA-N
InChICode InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
SMILES c1(c(ccc(c1/C=C/c1ccc(c(c1)O)O)/C=C/C(=O)O[C@H](Cc1cc(c(cc1)O)O)C(=O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHeliotropiaceaeTournefortia sarmentosa Ref.
PlantaeLabiataeOrthosiphon stamineus Ref.
PlantaeLabiataeSalvia cavaleriei Ref.
PlantaeLabiataeSalvia flava Ref.
PlantaeLabiataeSalvia miltiorrhiza Ref.
PlantaeLabiataeSalvia prionitis Ref.
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OrganismSalvia prionitis
ReferenceLu,Phytochem.,59,(2002),117