input word = C00037173

Metabolite InformationStructural formula
Name Gemin D
Formula C27H22O18
Mw 634.0806139
CAS RN 84744-46-7
C_ID C00037173 ,
InChIKey XKVYZLLWKHGKMT-UHFFFAOYNA-N
InChICode InChI=1S/C27H22O18/c28-5-14(33)23(44-25(40)7-1-10(29)18(35)11(30)2-7)24-15(34)6-43-26(41)8-3-12(31)19(36)21(38)16(8)17-9(27(42)45-24)4-13(32)20(37)22(17)39/h1-5,14-15,23-24,29-39H,6H2/t14-,15-,23-,24-/m0/s1
SMILES O1C[C@@H]([C@H](OC(=O)c2cc(c(c(c2c2c(C1=O)cc(c(c2O)O)O)O)O)O)[C@@H](OC(=O)c1cc(c(c(c1)O)O)O)[C@@H](O)C=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
PlantaeOnagraceaeOenothera tetraptera Ref.
PlantaeTamaricaceaeTamarix nilotica Ref.
zoom in



OrganismPunica granatum
ReferenceWu, S. et al., Molecules 22, (2017), 1606.