input word = C00037345

Metabolite InformationStructural formula
Name Isosalvianolic acid C
Formula C26H20O10
Mw 492.10564686
CAS RN 142115-17-1
C_ID C00037345 ,
InChIKey AVGRZVZQTALJJF-NYHARNARNA-N
InChICode InChI=1S/C26H20O10/c27-17-6-1-13(9-19(17)29)10-23(26(33)34)35-24(32)8-4-14-3-7-18(28)25-16(14)5-2-15-11-20(30)21(31)12-22(15)36-25/h1-9,11-12,23,27-31H,10H2,(H,33,34)/b8-4+/t23-/m1/s1
SMILES C1=Cc2c(Oc3c1cc(c(c3)O)O)c(ccc2/C=C/C(=O)O[C@@H](C(=O)O)Cc1cc(c(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHeliotropiaceaeTournefortia sarmentosa Ref.
PlantaeLabiataeSalvia cavaleriei Ref.
PlantaeLabiataeSalvia chinensis Ref.
PlantaeLabiataeSalvia prionitis Ref.
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