| Name |
Aurantoside A |
| Formula |
C36H46Cl2N2O15 |
| Mw |
816.22752424 |
| CAS RN |
137895-70-6 |
| C_ID |
C00049621
, 
|
| InChIKey |
NLZFTTQPFPQXDX-CYVQMNASNA-N |
| InChICode |
InChI=1S/C36H46Cl2N2O15/c1-17(37)13-19(38)11-9-7-5-4-6-8-10-12-21(41)25-27(45)20(14-24(39)43)40(33(25)49)34-31(28(46)22(42)15-51-34)55-35-30(48)29(47)23(16-52-35)54-36-32(50-3)26(44)18(2)53-36/h4-13,18,20,22-23,26,28-32,34-36,41-42,44,46-48H,14-16H2,1-3H3,(H2,39,43)/b5-4+,8-6+,9-7+,12-10+,17-13-,19-11-,25-21+/t18-,20-,22+,23+,26+,28+,29+,30+,31+,32+,34-,35+,36+/m0/s1 |
| SMILES |
C1[C@H]([C@H]([C@H]([C@H](O1)N1[C@H](C(=O)/C(=C(/C=C/C=C/C=C/C=C/C=C(\Cl)/C=C(\Cl)/C)\O)/C1=O)CC(=O)N)O[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O[C@@H]1[C@@H]([C@@H]([C@@H](O1)C)O)OC)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Arg L-Asp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Siliquariaspongia japonica | Ref. |
| - | - | Theonella swinhoei | Ref. |
|
|
zoom in
| Organism | Theonella swinhoei |
|---|
| Reference | Sata,J.Nat.Prod.,62,(1999),969 |
|---|
|
