input word = C00005562

Metabolite InformationStructural formula
Name Isorhamnetin 3-glucoside-4'-rhamnoside
Formula C28H32O16
Mw 624.16903498
CAS RN 28289-13-6
C_ID C00005562 ,
InChIKey GVBDKXQDCPGLFU-QBAPSIOVNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)42-13-4-3-10(5-14(13)39-2)25-26(20(34)17-12(31)6-11(30)7-15(17)41-25)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 COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2OC(CO)[C@@H](O)C(O)C2O)ccc1O[C@@H]1OC(C)[C@H](O)C(O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePastinaca sativa Ref.
PlantaeResedaceaeReseda gredensis Ref.
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