| Name |
Petunidin 3-(4'''-p-coumarylrutinoside) |
| Formula |
C37H39O18 |
| Mw |
771.21363945 |
| CAS RN |
69896-02-2 |
| C_ID |
C00006897
, 
|
| InChIKey |
GGHKWVKYMAQQGH-UHFFFAOYNA-O |
| InChICode |
InChI=1S/C37H38O18/c1-15-34(55-27(42)8-5-16-3-6-18(38)7-4-16)31(46)33(48)36(51-15)50-14-26-29(44)30(45)32(47)37(54-26)53-25-13-20-21(40)11-19(39)12-23(20)52-35(25)17-9-22(41)28(43)24(10-17)49-2/h3-13,15,26,29-34,36-37,44-48H,14H2,1-2H3,(H4-,38,39,40,41,42,43)/p+1/t15-,26+,29+,30+,31-,32-,33+,34+,36-,37-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)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)OC(=O)/C=C/c1ccc(cc1)O)O)O)O)O)O)c1cc(c(c(c1)OC)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Iridaceae | Iris spp. | Ref. |
| Plantae | Solanaceae | Solanum tuberosum  | Ref. |
|
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