input word = C00006348

Metabolite InformationStructural formula
Name 3,6,8-Tri-C-xylosylapigenin
Formula C30H34O17
Mw 666.17959966
CAS RN 150697-53-3
C_ID C00006348 ,
InChIKey KVNPEARIEDGOLI-OEBYHVCQNA-N
InChICode InChI=1S/C30H34O17/c31-9-3-1-8(2-4-9)26-15(29-24(42)18(36)11(33)6-45-29)21(39)13-20(38)14(28-23(41)17(35)10(32)5-44-28)22(40)16(27(13)47-26)30-25(43)19(37)12(34)7-46-30/h1-4,10-12,17-19,23-25,28-38,40-43H,5-7H2/t10-,11+,12+,17-,18-,19-,23-,24-,25+,28-,29-,30-/m0/s1
SMILES c1(c(c(c2c(c1[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)oc(c(c2=O)[C@H]1[C@H]([C@H]([C@@H](CO1)O)O)O)c1ccc(cc1)O)O)[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeAsplenium viviparum Ref.
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