input word = C00037059

Metabolite InformationStructural formula
Name Dimethyl lithospermate
Formula C29H26O12
Mw 566.1424263
CAS RN 54844-34-7
C_ID C00037059 ,
InChIKey YAXTXMBBIHBGPZ-GEVRQDIRNA-N
InChICode InChI=1S/C29H26O12/c1-38-28(36)22(12-14-3-7-17(30)20(33)11-14)40-23(35)10-6-15-4-9-19(32)27-24(15)25(29(37)39-2)26(41-27)16-5-8-18(31)21(34)13-16/h3-11,13,22,25-26,30-34H,12H2,1-2H3/b10-6+/t22-,25+,26-/m1/s1
SMILES c1cc(c2c(c1/C=C/C(=O)O[C@@H](C(=O)OC)Cc1ccc(c(c1)O)O)[C@@H]([C@H](O2)c1ccc(c(c1)O)O)C(=O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia miltiorrhiza Ref.
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OrganismSalvia miltiorrhiza
ReferenceLu,Phytochem.,59,(2002),117