input word = C00006407

Metabolite InformationStructural formula
Name Isovitexin 4',2''-di-O-glucoside
Formula C33H40O20
Mw 756.21129372
CAS RN 63316-27-8
C_ID C00006407 ,
InChIKey ZMKFRCAKYUJGFQ-IFKMJLCMNA-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(50-16)20-13(38)6-15-19(24(20)42)12(37)5-14(49-15)10-1-3-11(4-2-10)48-32-28(46)25(43)21(39)17(8-35)51-32/h1-6,16-18,21-23,25-36,38-47H,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[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[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeGentiana asclepiadea Ref.
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