| Name |
Anhydrosafflor yellow B |
| Formula |
C48H52O26 |
| Mw |
1044.27468184 |
| CAS RN |
184840-84-4 |
| C_ID |
C00014588
, 
|
| InChIKey |
LBOXAMKXVULZTI-NZKTZXCDNA-N |
| InChICode |
InChI=1S/C48H52O26/c49-13-22(56)30(57)37(64)40-27(28-33(60)25(20(54)11-5-16-1-7-18(52)8-2-16)41(67)47(70,43(28)69)45-38(65)35(62)31(58)23(14-50)72-45)29-34(61)26(21(55)12-6-17-3-9-19(53)10-4-17)42(68)48(71,44(29)74-40)46-39(66)36(63)32(59)24(15-51)73-46/h1-12,22-24,27,30-32,35-40,45-46,49-53,56-59,62-71H,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 |
O=C(/C=C/c1ccc(O)cc1)C1=C(O)C(O)([C@@H]2O[C@H](CO)[C@@H](O)C(O)C2O)C(O)=C(C2C3=C(O[C@@H]2[C@@H](O)[C@H](O)[C@H](O)CO)C(O)([C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C(O)=C(C(=O)/C=C/c2ccc(O)cc2)C3=O)C1=O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Asteraceae | Carthamus tinctorius  | Ref. |
|
|
zoom in
|
