input word = C00005561

Metabolite InformationStructural formula
Name Isorhamnetin 3,4'-diglucoside
Isorhamnetin-3,4'-diglucoside
Formula C28H32O17
Mw 640.1639496
CAS RN 28288-98-4
C_ID C00005561 ,
InChIKey VKVBSQRURLRCHO-NATGWGOFNA-N
InChICode InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16-,18-,19-,21+,22-,23-,24-,27-,28+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeCruciferaeMatthiola incana Ref.
PlantaeFabaceaeAstragalus galegiformis Ref.
PlantaeFabaceaeAstragalus lasioglottis Ref.
PlantaeIridaceaeCrocus sativus Ref.
PlantaeIridaceaeCrocus spp. Ref.
PlantaePoaceaeDactylis glomerata Ref.
PlantaePoaceaePhleum pratense Ref.
PlantaePoaceaeZea mays Ref.
PlantaeVitaceaeVitis sp. Ref.
zoom in