| Name |
Safflor yellow B |
| Formula |
C48H54O27 |
| Mw |
1062.28524652 |
| CAS RN |
91574-92-4 |
| C_ID |
C00006340
, 
|
| InChIKey |
WBKUQZJRZIYAJL-ZIBBGZIHNA-N |
| InChICode |
InChI=1S/C48H54O27/c49-13-22(56)30(57)36(63)35(62)27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(68)47(72,43(28)70)45-39(66)37(64)31(58)23(14-50)74-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(69)48(73,44(29)71)46-40(67)38(65)32(59)24(15-51)75-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-73H,13-15H2/b11-5+,12-6+/t22-,23-,24+,27-,30+,31-,32-,35-,36-,37+,38-,39+,40+,45-,46+,47-,48-/m1/s1 |
| SMILES |
C1(=C(C(=O)C(=C([C@]1([C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO)O)O)[C@@H](C1=C([C@@](C(=C(C1=O)C(=O)/C=C/c1ccc(cc1)O)O)(O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO)O)[C@H]([C@@H]([C@H]([C@H](O)CO)O)O)O)C(=O)/C=C/c1ccc(cc1)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Carthamus tinctorius  | Ref. |
|
|
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