input word = C00037779

Metabolite InformationStructural formula
Name Salvianolic acid J
Formula C27H22O12
Mw 538.11112617
CAS RN 159736-38-6
C_ID C00037779 ,
InChIKey KPKHMGUZUPELJC-KTLDLXQWNA-N
InChICode InChI=1S/C27H22O12/c28-16-5-1-14(9-18(16)30)11-22(26(33)34)37-23(32)8-3-13-2-7-20-21(10-13)39-25(27(35)36)24(38-20)15-4-6-17(29)19(31)12-15/h1-10,12,22,24-25,28-31H,11H2,(H,33,34)(H,35,36)/b8-3+/t22-,24-,25-/m1/s1
SMILES O=C(/C=C/c1ccc2c(c1)O[C@@H](C(=O)O)[C@@H](c1ccc(O)c(O)c1)O2)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia flava Ref.
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