Name |
Kaempferol 3-(6''-sinapylglucosyl)-(1->2)-galactoside |
Formula |
C38H40O20 |
Mw |
816.21129372 |
CAS RN |
168781-59-7 |
C_ID |
C00005876
,
|
InChIKey |
GCZWMUSXVIZQRI-GIWWZWIGNA-N |
InChICode |
InChI=1S/C38H40O20/c1-51-21-9-15(10-22(52-2)27(21)44)3-8-25(43)53-14-24-29(46)31(48)33(50)37(56-24)58-36-32(49)28(45)23(13-39)55-38(36)57-35-30(47)26-19(42)11-18(41)12-20(26)54-34(35)16-4-6-17(40)7-5-16/h3-12,23-24,28-29,31-33,36-42,44-46,48-50H,13-14H2,1-2H3/b8-3+/t23-,24+,28-,29+,31-,32-,33+,36+,37-,38-/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)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)O)O)O)c1ccc(cc1)O)O)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Apocynaceae | Thevetia peruviana | Ref. |
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