| Name |
Theonellamine B |
| Formula |
C70H125N13O16 |
| Mw |
1403.93672504 |
| CAS RN |
105115-91-1 |
| C_ID |
C00040482
, 
|
| InChIKey |
YQVDGSKEDMCSLL-IWYHUBDGNA-N |
| InChICode |
InChI=1S/C70H125N13O16/c1-25-44(15)57-68(95)82(22)59(43(13)14)69(96)79(19)46(17)61(88)71-30-27-52(84)75-49(34-39(5)6)66(93)83(23)60(45(16)26-2)70(97)99-47(18)58(78-63(90)51(36-41(9)10)81(21)67(94)56(42(11)12)77-55(87)37-98-24)64(91)73-32-28-53(85)74-48(33-38(3)4)65(92)80(20)50(35-40(7)8)62(89)72-31-29-54(86)76-57/h38-51,56-60H,25-37H2,1-24H3,(H,71,88)(H,72,89)(H,73,91)(H,74,85)(H,75,84)(H,76,86)(H,77,87)(H,78,90)/t44-,45-,46+,47-,48-,49-,50+,51-,56+,57-,58+,59+,60-/m1/s1 |
| SMILES |
[C@H]1(N(C(=O)[C@H](NC(=O)CCNC(=O)[C@@H](N(C(=O)[C@H](NC(=O)CCNC(=O)[C@H]([C@H](OC(=O)[C@H](N(C(=O)[C@H](NC(=O)CCNC(=O)[C@@H](N(C1=O)C)C)CC(C)C)C)[C@H](C)CC)C)NC(=O)[C@@H](CC(C)C)N(C(=O)[C@H](C(C)C)NC(=O)COC)C)CC(C)C)C)CC(C)C)[C@H](C)CC)C)C(C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Pro L-Arg L-Ala |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Theonella swinhoei | Ref. |
|
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