input word = C00005571

Metabolite InformationStructural formula
Name Isorhamnetin 3-(2G-apiosylrutinoside)
Formula C33H40O20
Mw 756.21129372
CAS RN 165605-18-5
C_ID C00005571 ,
InChIKey IMRLHOSTHAEDEL-JXFVBHNZNA-N
InChICode InChI=1S/C33H40O20/c1-11-20(38)23(41)25(43)30(49-11)47-8-18-21(39)24(42)28(53-32-29(44)33(45,9-34)10-48-32)31(51-18)52-27-22(40)19-15(37)6-13(35)7-17(19)50-26(27)12-3-4-14(36)16(5-12)46-2/h3-7,11,18,20-21,23-25,28-32,34-39,41-45H,8-10H2,1-2H3/t11-,18-,20-,21+,23-,24+,25-,28-,29+,30+,31-,32-,33+/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)CO[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@H]([C@@](CO1)(O)CO)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeChenopodium pallidicaule Ref.
--Pituranthos tortuosus Ref.
zoom in