input word = C00005612

Metabolite InformationStructural formula
Name Rhamnazin 3-isorhamninoside
Formula C35H44O20
Mw 784.24259385
CAS RN 52801-23-7
C_ID C00005612 ,
InChIKey RKDYSYBFDLUFOO-CZQNNGIJNA-N
InChICode InChI=1S/C35H44O20/c1-11-21(38)24(41)27(44)34(50-11)54-30-12(2)51-33(29(46)26(30)43)49-10-19-22(39)25(42)28(45)35(53-19)55-32-23(40)20-16(37)8-14(47-3)9-18(20)52-31(32)13-5-6-15(36)17(7-13)48-4/h5-9,11-12,19,21-22,24-30,33-39,41-46H,10H2,1-4H3/t11-,12-,19+,21-,22+,24-,25-,26+,27+,28+,29+,30-,33+,34-,35-/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[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhamnaceaeRhamnus formosana Ref.
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