input word = C00051629

Metabolite InformationStructural formula
Name Monomethyl lithospermate
Formula C28H24O12
Mw 552.12677623
CAS RN 933054-33-2
C_ID C00051629
InChIKey FZOMKRCQFLBHCS-RBBAXXHYNA-N
InChICode InChI=1S/C28H24O12/c1-38-28(37)24-23-14(3-8-18(31)26(23)40-25(24)15-4-7-17(30)20(33)12-15)5-9-22(34)39-21(27(35)36)11-13-2-6-16(29)19(32)10-13/h2-10,12,21,24-25,29-33H,11H2,1H3,(H,35,36)/b9-5+/t21-,24+,25-/m1/s1
SMILES COC(=O)[C@H]1c2c(/C=C/C(=O)O[C@H](Cc3ccc(O)c(O)c3)OC=O)ccc(O)c2O[C@@H]1c1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia miltiorrhiza Ref.
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OrganismSalvia miltiorrhiza
ReferenceKohda, et al., Chem Pharm Bull, 37, (1989), 1287