| Name |
Arugomycin |
| Formula |
C80H112N2O37 |
| Mw |
1692.69439261 |
| CAS RN |
88465-80-9 |
| C_ID |
C00018546
, 
|
| InChIKey |
MWGPOKWHXRTZII-UHFFFAOYNA-N |
| InChICode |
InChI=1S/C80H112N2O37/c1-30-63(89)43(98-13)24-55(103-30)116-74-36(7)109-56(29-78(74,8)82(96)97)115-69-32(3)105-51(23-42(69)85)117-75-62(81(11)12)67(93)77-118-73-39(80(75,10)119-77)21-40(83)59-60(73)64(90)38-20-37-57(65(91)58(38)66(59)92)47(28-79(9,95)61(37)76(94)102-17)110-52-25-45(100-15)71(34(5)106-52)113-50-22-41(84)68(31(2)104-50)112-53-27-46(101-16)72(35(6)108-53)114-54-26-44(99-14)70(33(4)107-54)111-49(88)19-18-48(86)87/h18-21,30-36,41-47,50-56,61-63,67-72,74-75,77,83-85,89,91,93,95H,22-29H2,1-17H3,(H,86,87)/b19-18+/t30-,31+,32-,33+,34+,35+,36+,41+,42-,43-,44+,45-,46+,47+,50-,51-,52-,53-,54-,55+,56-,61-,62+,63+,67+,68-,69+,70-,71-,72-,74+,75-,77-,78+,79-,80-/m0/s1 |
| SMILES |
[C@@]1(C[C@H](c2c([C@H]1C(=O)OC)cc1c(c2O)C(=O)c2c(C1=O)c1c(cc2O)[C@]2([C@H]([C@@H]([C@H]([C@@H](O1)O2)O)N(C)C)O[C@H]1C[C@@H]([C@@H]([C@@H](O1)C)O[C@H]1C[C@@]([C@@H]([C@H](O1)C)O[C@@H]1C[C@@H]([C@@H]([C@@H](O1)C)O)OC)(C)[N+](=O)[O-])O)C)O[C@H]1C[C@@H]([C@H]([C@H](O1)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)O[C@H]1C[C@H]([C@H]([C@H](O1)C)OC(=O)/C=C/C(=O)O)OC)OC)O)OC)(C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Tyr Secologanin |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Bacteria | Streptomycetaceae | Streptomyces 1098-AV2 | Ref. |
|
|
zoom in
| Organism | Streptomyces 1098-AV2 |
|---|
| Reference | Kawai,J. Antibiotics,36,(1983),1569 |
|---|
|
