input word = C00006308

Metabolite InformationStructural formula
Name Isovitexin 7-O-xyloside-2''-O-glucoside
Formula C32H38O19
Mw 726.20072904
CAS RN 84842-16-0
C_ID C00006308 ,
InChIKey BICGASJNMVSQHP-MYFZRVOYNA-N
InChICode InChI=1S/C32H38O19/c33-7-17-23(40)26(43)30(51-32-28(45)25(42)22(39)18(8-34)50-32)29(48-17)20-16(49-31-27(44)21(38)13(37)9-46-31)6-15-19(24(20)41)12(36)5-14(47-15)10-1-3-11(35)4-2-10/h1-6,13,17-18,21-23,25-35,37-45H,7-9H2/t13-,17-,18-,21+,22-,23-,25+,26+,27+,28-,29+,30+,31+,32+/m1/s1
SMILES O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)C3O)c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeMelandrium album Ref.
PlantaeCaryophyllaceaeSilene dioica Ref.
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