input word = C00005558

Metabolite InformationStructural formula
Name Isorhamnetin 3-rhamnoside-7-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 123131-41-9
C_ID C00005558 ,
InChIKey UWQOGHWNWIJMNI-PURQGOBENA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(40-9)44-26-20(34)17-13(31)6-11(41-28-24(38)22(36)19(33)16(8-29)43-28)7-15(17)42-25(26)10-3-4-12(30)14(5-10)39-2/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]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)OC)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum album Ref.
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