Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025867
PROPERTIES
| NPAID | NPA025867 |
|---|---|
| CLUSTER ID | 7284 |
| NODE ID | 4995 |
| NAME | Ralstonin C |
| FORMULA | C62H100N12O19 |
| MOLECULAR WEIGHT (Da) | 1317.5470 |
| ACCURATE MASS (Da) | 1316.7228 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Ralstonia |
| ORIGIN SPECIES | solanacearum |
| InChIKey | CDVJNSDMXJSROS-QWUKGXDJSA-N |
| InChI | InChI=1S/C62H100N12O19/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-42(63)53(83)62(92)73-50(39(6)77)60(90)74-51(52(82)40-23-25-41(78)26-24-40)61(91)71-45(35-76)58(88)70-43(28-31-75)56(86)66-34-47(80)69-44-29-32-93-48(81)27-30-64-54(84)37(4)67-46(79)33-65-55(85)38(5)68-59(89)49(36(2)3)72-57(44)87/h12-13,23-26,36-37,39,42-45,49-53,75-78,82-83H,5,7-11,14-22,27-35,63H2,1-4,6H3,(H,64,84)(H,65,85)(H,66,86)(H,67,79)(H,68,89)(H,69,80)(H,70,88)(H,71,91)(H,72,87)(H,73,92)(H,74,90)/b13-12-/t37-,39-,42+,43+,44-,45+,49+,50+,51+,52+,53+/m1/s1 |
| SMILES | C=C1NC(=O)[C@H](C(C)C)NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CCO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](O)[C@@H](N)CCCCCCCCC/C=C\CCCCCC)[C@@H](C)O)[C@@H](O)C2=CC=C(O)C=C2)CCOC(=O)CCNC(=O)[C@@H](C)NC(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ishikawa, Yoko; Murai, Yuta; Sakata, Megumi; Mori, Shoko; Matsuo, Shoma; Senuma, Wakana; Ohnishi, Kouhei; Hikichi, Yasufumi; Kai, Kenji Activation of Ralfuranone/Ralstonin Production by Plant Sugars Functions in the Virulence of Ralstonia solanacearum ACS Chemical Biology 2019 14 (7) 1546-1555. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.9b00301 | PMID | 31246411 |
