| Name |
Bergofungin B |
| Formula |
C74H122N16O19 |
| Mw |
1538.90721583 |
| CAS RN |
245670-50-2 |
| C_ID |
C00015383
, 
|
| InChIKey |
BUOJQDSEAHONPL-SJWQLQCJNA-N |
| InChICode |
InChI=1S/C74H122N16O19/c1-22-74(21,68(109)90-36-46(94)33-50(90)59(100)83-69(11,12)63(104)78-44(37-91)31-43-26-24-23-25-27-43)86-57(98)47(28-29-51(75)95)80-58(99)49-32-45(93)35-89(49)67(108)73(19,20)85-62(103)55(41(8)9)81-56(97)48(30-38(2)3)79-52(96)34-76-60(101)53(39(4)5)82-64(105)70(13,14)87-66(107)72(17,18)88-65(106)71(15,16)84-61(102)54(40(6)7)77-42(10)92/h23-27,38-41,44-50,53-55,91,93-94H,22,28-37H2,1-21H3,(H2,75,95)(H,76,101)(H,77,92)(H,78,104)(H,79,96)(H,80,99)(H,81,97)(H,82,105)(H,83,100)(H,84,102)(H,85,103)(H,86,98)(H,87,107)(H,88,106)/t44-,45+,46+,47-,48-,49-,50-,53-,54-,55-,74-/m0/s1 |
| SMILES |
C(=O)(C(NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@](NC(=O)[C@@H](NC(=O)[C@H]1N(C[C@@H](C1)O)C(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C)CC(C)C)CCC(=O)N)(CC)C)O)(C)C)N[C@@H](Cc1ccccc1)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Asp L-His |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Fungi | Incertae sedis | Emericellopsis donezkii HKI 0059 | Ref. |
|
|
zoom in
| Organism | Emericellopsis donezkii HKI 0059 |
|---|
| Reference | Berg,J.Antibiotics,52,(1999),666 |
|---|
|
