| Name |
Heavenly blue anthocyanin |
| Formula |
C79H91O45 |
| Mw |
1759.48323591 |
| CAS RN |
79620-69-2 |
| C_ID |
C00002380
, 
|
| InChIKey |
ISQXIVZPNCPLCO-WQJUNIMONA-O |
| InChICode |
InChI=1S/C79H90O45/c1-108-42-19-32(8-11-35(42)84)72-45(22-34-40(112-72)20-33(83)21-41(34)114-75-67(103)61(97)55(91)46(23-80)118-75)117-79-73(124-78-71(107)65(101)59(95)50(122-78)27-110-54(90)15-7-31-3-10-37(86)44(18-31)116-77-69(105)63(99)57(93)48(25-82)120-77)66(102)60(96)51(123-79)28-111-52(88)13-5-29-4-12-39(38(87)16-29)113-74-70(106)64(100)58(94)49(121-74)26-109-53(89)14-6-30-2-9-36(85)43(17-30)115-76-68(104)62(98)56(92)47(24-81)119-76/h2-22,46-51,55-71,73-82,91-107H,23-28H2,1H3,(H4-,83,84,85,86,87,89,90)/p+1/b13-5+/t46-,47+,48-,49+,50-,51+,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68+,69-,70+,71+,73+,74+,75+,76+,77+,78-,79+/m0/s1 |
| SMILES |
c1(c2c(cc(c1)O)[o+]c(c(c2)O[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(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c(cc1)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)c1ccc(c(c1)OC)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea purpurea  | Ref. |
| Plantae | Convolvulaceae | Ipomoea tricolor | Ref. |
|
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