input word = C00006908

Metabolite InformationStructural formula
Name Malonylmalvin
Formula C32H37O20
Mw 741.18781863
CAS RN 121748-28-5
C_ID C00006908 ,
InChIKey JVWKTROBNQKVEQ-GCKIJIDWNA-O
InChICode InChI=1S/C32H36O20/c1-45-16-3-11(4-17(46-2)23(16)38)30-18(50-32-29(44)27(42)25(40)20(52-32)10-47-22(37)8-21(35)36)7-13-14(48-30)5-12(34)6-15(13)49-31-28(43)26(41)24(39)19(9-33)51-31/h3-7,19-20,24-29,31-33,39-44H,8-10H2,1-2H3,(H2-,34,35,36,38)/p+1/t19-,20-,24+,25+,26+,27-,28-,29-,31-,32-/m1/s1
SMILES c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)c1cc(c(c(c1)OC)O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeLavatera maritima Ref.
PlantaeMalvaceaeMalva sylvestris Ref.
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