| Name |
Iresinin I |
| Formula |
C36H42N2O23 |
| Mw |
870.21783567 |
| CAS RN |
78413-55-5 |
| C_ID |
C00001592
, 
|
| InChIKey |
GTTSBGCXUNBAOH-QNVDVHHBNA-N |
| InChICode |
InChI=1S/C36H42N2O23/c1-36(56,9-21(40)41)10-22(42)57-11-20-23(43)25(45)29(61-34-27(47)24(44)26(46)28(60-34)33(54)55)35(59-20)58-19-7-13-6-17(32(52)53)38(16(13)8-18(19)39)3-2-12-4-14(30(48)49)37-15(5-12)31(50)51/h2-4,7-8,15,17,20,23-29,34-35,43-47,56H,5-6,9-11H2,1H3,(H6,39,40,41,48,49,50,51,52,53,54,55)/t15-,17-,20+,23+,24-,25-,26-,27+,28-,29+,34-,35+,36+/m0/s1 |
| SMILES |
C[C@@](O)(CC(=O)O)CC(=O)OCC1O[C@@H](Oc2cc3c(cc2O)/[N+](=C/C=C2/C=C(C(=O)O)N[C@H](C(=O)O)C2)[C@H](C(=O)[O-])C3)C(O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)[C@@H](O)[C@@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Amaranthaceae | Iresine herbstii  | Ref. |
|
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