| Name |
Pelargonidin 3-O-[2-O-(6-O-(trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)-6-O-(trans-4-O-(6-O-trans-3-O-(beta-D-glucopyranosyl)caffeyl)-beta-D-glucopyranosyl)caffeyl)-D-glucopyranoside]]-5-O-[beta-D-glucopyranoside] |
| Formula |
C78H89O44 |
| Mw |
1729.47267122 |
| CAS RN |
|
| C_ID |
C00011089
, 
|
| InChIKey |
FFELXYXBJVVYRJ-LIADPNLYNA-O |
| InChICode |
InChI=1S/C78H88O44/c79-23-45-54(90)60(96)66(102)74(116-45)112-41-21-34(83)20-40-35(41)22-44(71(110-40)32-7-9-33(82)10-8-32)115-78-72(122-77-70(106)64(100)58(94)49(120-77)27-108-53(89)16-6-31-2-12-37(85)43(19-31)114-76-68(104)62(98)56(92)47(25-81)118-76)65(101)59(95)50(121-78)28-109-51(87)14-4-29-3-13-39(38(86)17-29)111-73-69(105)63(99)57(93)48(119-73)26-107-52(88)15-5-30-1-11-36(84)42(18-30)113-75-67(103)61(97)55(91)46(24-80)117-75/h1-22,45-50,54-70,72-81,90-106H,23-28H2,(H4-,82,83,84,85,86,88,89)/p+1/b14-4+/t45-,46-,47+,48-,49+,50+,54-,55-,56-,57-,58-,59-,60+,61+,62+,63+,64+,65+,66-,67-,68+,69-,70-,72+,73-,74-,75-,76-,77+,78-/m1/s1 |
| SMILES |
c1cc(ccc1c1[o+]c2c(cc1O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(c(c1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1cc(c(cc1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(c(c1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)O)O)c(cc(c2)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea nil  | Ref. |
|
|
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