input word = C00005582

Metabolite InformationStructural formula
Name Isorhamnetin-3-O-rutinoside-7-O-glucoside
Isorhamnetin 3-rutinoside-7-glucoside
Formula C34H42O21
Mw 786.22185841
CAS RN 55481-91-9
C_ID C00005582 ,
InChIKey VLDJCNQOIAEWHD-USSTUJKONA-N
InChICode InChI=1S/C34H42O21/c1-10-20(38)24(42)27(45)32(50-10)49-9-18-22(40)26(44)29(47)34(54-18)55-31-23(41)19-14(37)6-12(51-33-28(46)25(43)21(39)17(8-35)53-33)7-16(19)52-30(31)11-3-4-13(36)15(5-11)48-2/h3-7,10,17-18,20-22,24-29,32-40,42-47H,8-9H2,1-2H3/t10-,17-,18-,20+,21?,22+,24+,25+,26+,27-,28-,29-,32-,33-,34+/m1/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O[C@@H]2OC(CO[C@@H]3OC(C)[C@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMercurialis annua Ref.
PlantaeFabaceaeLathyrus aphaca Ref.
PlantaeGinkgoaceaeGinkgo biloba Ref.
PlantaeLimnanthaceaeLimnanthes douglasii Ref.
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