input word = C00005583

Metabolite InformationStructural formula
Name Isorhamnetin 3-rutinoside-7-rhamnoside
Formula C34H42O20
Mw 770.22694379
CAS RN 119945-81-2
C_ID C00005583 ,
InChIKey VXNWHRNUCPQFIN-FMFBLBJSNA-N
InChICode InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-15(36)7-13(51-33-28(45)25(42)21(38)11(2)50-33)8-17(19)52-30(31)12-4-5-14(35)16(6-12)47-3/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3/t10-,11+,18-,20+,21+,22+,24+,25+,26+,27-,28-,29-,32-,33+,34+/m1/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4OC(C)[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
PlantaeFabaceaeCassia italica Ref.
PlantaeLiliaceaeLilium cordatum Ref.
PlantaeTyphaceaeTypha latifolia Ref.
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