| Name |
Theopalauamide |
| Formula |
C76H100BrN16O27 |
| Mw |
1747.61272001 |
| CAS RN |
180749-11-5 |
| C_ID |
C00040483
, 
|
| InChIKey |
WIQOCYZOGBBKDL-FTYNQKFLNA-N |
| InChICode |
InChI=1S/C76H100BrN16O27/c1-35(17-18-38-11-6-4-7-12-38)23-51(98)44-27-56(102)82-49(31-94)69(112)87-48-30-92-29-42(93(34-92)75-63(106)62(105)60(103)53(33-96)120-75)25-46(66(109)90-58(37(3)97)73(116)88-50(32-95)70(113)85-45(65(108)84-44)24-39-13-8-5-9-14-39)81-55(101)16-10-15-43(76(118)119)83-71(114)52(99)28-80-72(115)57(36(2)40-19-21-41(77)22-20-40)89-74(117)59(61(104)64(79)107)91-67(110)47(26-54(78)100)86-68(48)111/h4-9,11-14,17-23,29,34,36-37,43-53,57-63,75,94-99,103-106H,10,15-16,24-28,30-33H2,1-3H3,(H2,78,100)(H2,79,107)(H,80,115)(H,81,101)(H,82,102)(H,83,114)(H,84,108)(H,85,113)(H,86,111)(H,87,112)(H,88,116)(H,89,117)(H,90,109)(H,91,110)(H,118,119)/b18-17+,35-23+/t36-,37-,43-,44-,45-,46+,47-,48-,49-,50-,51-,52+,53+,57-,58+,59-,60+,61+,62-,63+,75+/m0/s1 |
| SMILES |
C1(=O)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@H]2Cc3cn(C[C@H](NC(=O)[C@@H](N1)CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC[C@H](C(=O)N[C@@H](CCCC(=O)N2)C(=O)O)O)[C@H](c1ccc(cc1)Br)C)[C@@H](O)C(=O)N)CC(=O)N)cn3[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO)Cc1ccccc1)[C@@H](O)/C=C(/C=C/c1ccccc1)\C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Theonella swinhoei | Ref. |
|
|
zoom in
| Organism | Theonella swinhoei |
|---|
| Reference | Wegerski,J.Nat.Prod.,70,(2007),89 |
|---|
|
