Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00001059690 | Gold | 3 |
COMPOUND NPA023849
PROPERTIES
| NPAID | NPA023849 |
|---|---|
| CLUSTER ID | 7284 |
| NODE ID | 4995 |
| NAME | Ralstonin A |
| FORMULA | C60H98N12O19 |
| MOLECULAR WEIGHT (Da) | 1291.5090 |
| ACCURATE MASS (Da) | 1290.7071 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Ralstonia |
| ORIGIN SPECIES | solanacearum |
| InChIKey | FPTGUQRTQZPCCQ-JFECJPGOSA-N |
| InChI | InChI=1S/C60H98N12O19/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-40(61)51(81)60(90)71-48(37(6)75)58(88)72-49(50(80)38-21-23-39(76)24-22-38)59(89)69-43(33-74)56(86)68-41(26-29-73)54(84)64-32-45(78)67-42-27-30-91-46(79)25-28-62-52(82)35(4)65-44(77)31-63-53(83)36(5)66-57(87)47(34(2)3)70-55(42)85/h21-24,34-35,37,40-43,47-51,73-76,80-81H,5,7-20,25-33,61H2,1-4,6H3,(H,62,82)(H,63,83)(H,64,84)(H,65,77)(H,66,87)(H,67,78)(H,68,86)(H,69,89)(H,70,85)(H,71,90)(H,72,88)/t35?,37-,40+,41+,42-,43+,47+,48+,49+,50+,51+/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(C)C)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 |
