input word = C00031742

Metabolite InformationStructural formula
Name Dichotomoside A
(-)-Dichotomoside A
Formula C26H32O13
Mw 552.18429111
CAS RN 845673-17-8
C_ID C00031742 ,
InChIKey CMWSNZIIKSIMDM-UOGUGJPQNA-N
InChICode InChI=1S/C26H32O13/c1-36-16-9-12(3-5-19(28)29)7-14(21(16)32)15-8-13(4-6-20(30)31)10-17(37-2)25(15)39-26-24(35)23(34)22(33)18(11-27)38-26/h7-10,18,22-24,26-27,32-35H,3-6,11H2,1-2H3,(H,28,29)(H,30,31)/t18-,22-,23+,24-,26+/m1/s1
SMILES c1(cc(c(c(c1)OC)O)c1cc(cc(c1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)CCC(=O)O)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma L.var.lanceolata Ref.
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