Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023850
PROPERTIES
| NPAID | NPA023850 |
|---|---|
| CLUSTER ID | 7284 |
| NODE ID | 4995 |
| NAME | Ralstonin B |
| FORMULA | C61H100N12O19 |
| MOLECULAR WEIGHT (Da) | 1305.5360 |
| ACCURATE MASS (Da) | 1304.7228 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Ralstonia |
| ORIGIN SPECIES | solanacearum |
| InChIKey | SWIIRJJZYDKLGY-SOMAXPFTSA-N |
| InChI | InChI=1S/C61H100N12O19/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-41(62)52(82)61(91)72-49(38(6)76)59(89)73-50(51(81)39-22-24-40(77)25-23-39)60(90)70-44(34-75)57(87)69-42(27-30-74)55(85)65-33-46(79)68-43-28-31-92-47(80)26-29-63-53(83)36(4)66-45(78)32-64-54(84)37(5)67-58(88)48(35(3)8-2)71-56(43)86/h22-25,35-36,38,41-44,48-52,74-77,81-82H,5,7-21,26-34,62H2,1-4,6H3,(H,63,83)(H,64,84)(H,65,85)(H,66,78)(H,67,88)(H,68,79)(H,69,87)(H,70,90)(H,71,86)(H,72,91)(H,73,89)/t35-,36?,38-,41+,42+,43-,44+,48+,49+,50+,51+,52+/m1/s1 |
| SMILES | CCCCCCCCCCCCCCC[C@@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@H](C1=CC=C(C=C1)O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCO)C(=O)NCC(=O)N[C@@H]2CCOC(=O)CCNC(=O)C(NC(=O)CNC(=O)C(=C)NC(=O)[C@@H](NC2=O)[C@H](C)CC)C)O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Murai, Yuta; Mori, Shoko; Konno, Hiroyuki; Hikichi, Yasufumi; Kai, Kenji Ralstonins A and B, Lipopeptides with Chlamydospore-Inducing and Phytotoxic Activities from the Plant Pathogen Ralstonia solanacearum Organic Letters 2017 19 (16) 4175-4178. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.7b01685 | PMID | 28753290 |
