input word = C00005557

Metabolite InformationStructural formula
Name Isorhamnetin 3-O-beta-glucopyranoside-7-O-alpha-rhamnopyranoside
Isorhamnetin 3-glucoside-7-rhamnoside
Isorhamnetin-3-O-glucosyl-7-O-rhamnoside
Formula C28H32O16
Mw 624.16903498
CAS RN 17331-71-4
C_ID C00005557 ,
InChIKey NEJKEXUJCSYMCC-SOGSBMQQNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)41-11-6-13(31)17-15(7-11)42-25(10-3-4-12(30)14(5-10)39-2)26(20(17)34)44-28-24(38)22(36)19(33)16(8-29)43-28/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22-,23-,24+,27-,28-/m0/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)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeCheiranthus cheiri Ref.
PlantaeCruciferaeBrassica napus Ref.
PlantaeCruciferaeErysimum perofskianum Ref.
PlantaeCruciferaeSinapis arvensis Ref.
PlantaeElaeagnaceaeHippophae rhamnoides Ref.
PlantaeEuphorbiaceaeChrozophora obliqua Ref.
PlantaeFabaceaeAstragalus adsurgens Ref.
PlantaeFabaceaeLathyrus chrysanthus Ref.
PlantaeLiliaceaeLilium cordatum Ref.
PlantaeMonimiaceaePeumus boldus Ref.
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