| Name |
Actinoidin A2 |
| Formula |
C84H93ClN8O33 |
| Mw |
1776.55335527 |
| CAS RN |
108905-13-1 |
| C_ID |
C00017844
, 
|
| InChIKey |
GLOPOTSIJYIVFQ-KBVQBIGHNA-N |
| InChICode |
InChI=1S/C84H93ClN8O33/c1-31-62(99)66(103)69(106)82(118-31)126-74-68(105)65(102)53(30-95)123-84(74)125-73-50-24-38-25-51(73)120-48-20-14-37(23-44(48)85)72(124-54-28-45(86)71(116-3)32(2)117-54)61-80(113)91-59(81(114)115)43-26-40(97)27-49(121-83-70(107)67(104)64(101)52(29-94)122-83)55(43)42-22-36(13-19-47(42)98)57(77(110)93-61)90-78(111)58(38)89-75(108)46(21-33-7-5-4-6-8-33)88-79(112)60(63(100)35-11-17-41(119-50)18-12-35)92-76(109)56(87)34-9-15-39(96)16-10-34/h4-20,22-27,31-32,45-46,52-54,56-72,74,82-84,94-107H,21,28-30,86-87H2,1-3H3,(H,88,112)(H,89,108)(H,90,111)(H,91,113)(H,92,109)(H,93,110)(H,114,115)/t31-,32+,45+,46+,52-,53+,54-,56+,57+,58-,59+,60-,61-,62+,63-,64-,65-,66-,67+,68+,69-,70+,71+,72+,74-,82+,83+,84+/m1/s1 |
| SMILES |
c1(cc2ccc1Oc1cc3cc(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)C)Oc1ccc(cc1)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]3C(=O)N[C@@H]1C(=O)N[C@H]([C@H]2O[C@@H]2C[C@@H]([C@H]([C@@H](O2)C)OC)N)C(=O)N[C@@H](c2c(c3cc1ccc3O)c(cc(c2)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)O)Cc1ccccc1)NC(=O)[C@@H](N)c1ccc(cc1)O)O)Cl |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Nocardiaceae | Nocardia sp. SK&F-AAJ-193 | Ref. |
|
|
zoom in
| Organism | Nocardia sp. SK&F-AAJ-193 |
|---|
| Reference | Dingerdissen,J.Antibiotics,40,(1987),165 |
|---|
|
