input word = C00005360

Metabolite InformationStructural formula
Name Sexangularetin 3,7-diglucoside
Formula C28H32O17
Mw 640.1639496
CAS RN 106009-64-7
C_ID C00005360 ,
InChIKey CFIHXLIHVDSMJY-DMTQGWJRNA-N
InChICode InChI=1S/C28H32O17/c1-40-24-12(41-27-21(38)19(36)16(33)13(7-29)42-27)6-11(32)15-18(35)26(23(44-25(15)24)9-2-4-10(31)5-3-9)45-28-22(39)20(37)17(34)14(8-30)43-28/h2-6,13-14,16-17,19-22,27-34,36-39H,7-8H2,1H3/t13-,14+,16-,17-,19+,20-,21-,22+,27-,28+/m1/s1
SMILES c1(cc(c2c(c1OC)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeFagonia arabica Ref.
PlantaeZygophyllaceaeFagonia taeckholmiana Ref.
zoom in