input word = C00005363

Metabolite InformationStructural formula
Name Sexangularetin 3-rutinoside-7-glucoside
Formula C34H42O21
Mw 786.22185841
CAS RN 106009-65-8
C_ID C00005363 ,
InChIKey ULKXVGKKZFALCW-VSRDOQLYNA-N
InChICode InChI=1S/C34H42O21/c1-10-18(38)22(42)25(45)32(50-10)49-9-16-20(40)24(44)27(47)34(53-16)55-31-21(41)17-13(37)7-14(51-33-26(46)23(43)19(39)15(8-35)52-33)29(48-2)30(17)54-28(31)11-3-5-12(36)6-4-11/h3-7,10,15-16,18-20,22-27,32-40,42-47H,8-9H2,1-2H3/t10-,15+,16+,18-,19-,20-,22-,23-,24-,25-,26+,27+,32+,33+,34-/m0/s1
SMILES COc1c(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)cc(O)c2c(=O)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(-c3ccc(O)cc3)oc12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeFagonia arabica Ref.
PlantaeZygophyllaceaeFagonia taeckholmiana Ref.
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