| Name |
Quercetin 3-(4''-(E)-p-coumarylrobinobioside)-7-rhamnoside |
| Formula |
C42H46O22 |
| Mw |
902.24807316 |
| CAS RN |
111545-15-4 |
| C_ID |
C00005991
, 
|
| InChIKey |
JQZWRFVZKRBLGP-DZTMDVAGNA-N |
| InChICode |
InChI=1S/C42H46O22/c1-15-28(48)31(51)34(54)40(58-15)57-14-25-38(63-26(47)10-5-17-3-7-19(43)8-4-17)33(53)36(56)42(62-25)64-39-30(50)27-23(46)12-20(60-41-35(55)32(52)29(49)16(2)59-41)13-24(27)61-37(39)18-6-9-21(44)22(45)11-18/h3-13,15-16,25,28-29,31-36,38,40-46,48-49,51-56H,14H2,1-2H3/b10-5+/t15-,16+,25+,28+,29+,31+,32+,33+,34-,35+,36-,38+,40-,41+,42+/m1/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)OC(=O)/C=C/c1ccc(cc1)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)C)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Coutoubea spicata | Ref. |
|
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