input word = C00006712

Metabolite InformationStructural formula
Name Delphinidin 3-(2G-xylosylrutinoside)
Formula C32H39O20
Mw 743.20346869
CAS RN 164739-17-7
C_ID C00006712 ,
InChIKey WEXMBFDTPSZAAO-IHBYWEPPNA-O
InChICode InChI=1S/C32H38O20/c1-9-20(38)24(42)27(45)30(48-9)47-8-19-23(41)25(43)29(52-31-26(44)22(40)16(37)7-46-31)32(51-19)50-18-6-12-13(34)4-11(33)5-17(12)49-28(18)10-2-14(35)21(39)15(36)3-10/h2-6,9,16,19-20,22-27,29-32,37-38,40-45H,7-8H2,1H3,(H4-,33,34,35,36,39)/p+1/t9-,16-,19+,20-,22+,23+,24-,25+,26+,27+,29+,30+,31+,32+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)C(O[C@@H]3OC[C@@H](O)C(O)[C@H]3O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLinaceaeLinum grandiflorum Ref.
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