input word = C00032140

Metabolite InformationStructural formula
Name Sinocrassoside D3
(+)-Sinocrassoside D3
Formula C29H32O18
Mw 668.15886422
CAS RN 1107059-87-9
C_ID C00032140 ,
InChIKey KHPKIZDPZGSTMI-TVQILVGUNA-N
InChICode InChI=1S/C29H32O18/c1-8-17(35)21(39)23(41)28(42-8)44-14-6-13(34)16-20(38)26(24(46-25(16)19(14)37)10-3-4-11(32)12(33)5-10)47-29-27(43-9(2)31)22(40)18(36)15(7-30)45-29/h3-6,8,15,17-18,21-23,27-30,32-37,39-41H,7H2,1-2H3/t8-,15+,17-,18+,21+,22-,23+,27+,28-,29-/m0/s1
SMILES O(c1cc(c2c(c1O)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)OC(=O)C)c1ccc(c(c1)O)O)O)[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSinocrassula indica Ref.
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