input word = C00005550

Metabolite InformationStructural formula
Name Isorhamnetin 3-rhamnosyl-(1->2)-rhamnoside
Formula C28H32O15
Mw 608.17412036
CAS RN 121064-69-5
C_ID C00005550 ,
InChIKey FZQRUXCCSWOZFJ-QXSFMRFDNA-N
InChICode InChI=1S/C28H32O15/c1-9-18(32)21(35)23(37)27(39-9)43-26-22(36)19(33)10(2)40-28(26)42-25-20(34)17-14(31)7-12(29)8-16(17)41-24(25)11-4-5-13(30)15(6-11)38-3/h4-10,18-19,21-23,26-33,35-37H,1-3H3/t9-,10-,18-,19-,21+,22+,23-,26-,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[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)O)C)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalendula officinalis Ref.
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