| Name |
Kaempferol 3-neohesperidoside-7-(2''-p-coumarylglucoside) |
| Formula |
C42H46O22 |
| Mw |
902.24807316 |
| CAS RN |
173268-23-0 |
| C_ID |
C00005919
, 
|
| InChIKey |
UDSPVVBVMAWQTL-DNEJNQPGNA-N |
| InChICode |
InChI=1S/C42H46O22/c1-16-28(49)32(53)35(56)40(57-16)64-39-34(55)30(51)25(15-44)61-42(39)63-37-31(52)27-22(47)12-21(13-23(27)59-36(37)18-5-9-20(46)10-6-18)58-41-38(33(54)29(50)24(14-43)60-41)62-26(48)11-4-17-2-7-19(45)8-3-17/h2-13,16,24-25,28-30,32-35,38-47,49-51,53-56H,14-15H2,1H3/b11-4+/t16-,24-,25+,28-,29+,30+,32+,33-,34-,35-,38+,39+,40-,41+,42-/m0/s1 |
| SMILES |
c1(c2c(cc(c1)O[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1OC(=O)/C=C/c1ccc(cc1)O)O)O)CO)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(cc1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Alliaceae | Allium ursinum  | Ref. |
|
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