| Name |
Brachystemin E |
| Formula |
C45H66N10O9 |
| Mw |
890.50142378 |
| CAS RN |
393510-96-8 |
| C_ID |
C00027042
, 
|
| InChIKey |
PMHHURUNHHUMMA-ZWVGGGIGNA-N |
| InChICode |
InChI=1S/C45H66N10O9/c1-7-24(4)36-42(61)48-23-35(57)54-18-12-16-32(54)40(59)51-37(25(5)8-2)43(62)49-30(20-27-22-47-29-15-11-10-14-28(27)29)39(58)50-31(21-34(46)56)45(64)55-19-13-17-33(55)41(60)52-38(26(6)9-3)44(63)53-36/h10-11,14-15,22,24-26,30-33,36-38,47H,7-9,12-13,16-21,23H2,1-6H3,(H2,46,56)(H,48,61)(H,49,62)(H,50,58)(H,51,59)(H,52,60)(H,53,63)/t24-,25+,26+,30-,31-,32-,33-,36-,37-,38-/m0/s1 |
| SMILES |
N1C(=O)[C@H]2N(C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1[C@@H](CC)C)Cc1c4c([nH]c1)cccc4)CC(=O)N)CCC3)[C@H](C)CC)[C@H](CC)C)CCC2 |
| Start Substs in Alk. Biosynthesis (Prediction) |
L-Trp |
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Caryophyllaceae | Brachystemma calycinum | Ref. |
| Plantae | Caryophyllaceae | Cucubalus baccifer  | Ref. |
|
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