input word = C00006321

Metabolite InformationStructural formula
Name Isovitexin 7-O-galactoside-2''-O-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 72021-35-3
C_ID C00006321 ,
InChIKey HCMCYDZSIBHFMM-OMLJKGGENA-N
InChICode InChI=1S/C33H40O20/c34-7-16-23(41)27(45)31(53-33-29(47)26(44)22(40)18(9-36)52-33)30(49-16)20-15(50-32-28(46)25(43)21(39)17(8-35)51-32)6-14-19(24(20)42)12(38)5-13(48-14)10-1-3-11(37)4-2-10/h1-6,16-18,21-23,25-37,39-47H,7-9H2/t16-,17-,18+,21+,22-,23-,25+,26+,27+,28-,29-,30+,31-,32-,33+/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)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
PlantaeCaryophyllaceaeMelandrium album Ref.
PlantaeCaryophyllaceaeSilene pratensis Ref.
PlantaeCaryophyllaceaeStellaria media Ref.
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