Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000085834 | Bronze | MLS001074711-01!Mupirocin |
| CCMSLIB00004684667 | Bronze | 3-Indoleacetic&acid&(IAA) |
| CCMSLIB00004684668 | Bronze | 4-hydroxyglucobrassicin |
| CCMSLIB00004684669 | Bronze | 4-hydroxyglucobrassicin |
| CCMSLIB00004684673 | Bronze | Abscisic&acid |
| CCMSLIB00004684682 | Bronze | Camalexin |
| CCMSLIB00004684683 | Bronze | Camalexin |
| CCMSLIB00004684684 | Bronze | Camalexin |
| CCMSLIB00004684773 | Bronze | Gluconapin&(3-butenylglucosinolate) |
| CCMSLIB00004684774 | Bronze | Gluconapin&(3-butenylglucosinolate) |
| CCMSLIB00004684775 | Bronze | glucoerucin&(4-methylthiobutyl&glucosinolate) |
| CCMSLIB00004684776 | Bronze | glucoerucin&(4-methylthiobutyl&glucosinolate) |
| CCMSLIB00004684777 | Bronze | Glucobrassicin&(Indol-3-ylmethylglucosinolate) |
| CCMSLIB00004684778 | Bronze | Glucobrassicin&(Indol-3-ylmethylglucosinolate) |
| CCMSLIB00004684779 | Bronze | Glucoraphanin&(4-methylsulfinylbutyl&glucosinolate) |
| CCMSLIB00004684780 | Bronze | Glucoraphanin&(4-methylsulfinylbutyl&glucosinolate) |
| CCMSLIB00004684781 | Bronze | Glucoiberin&(3-methylsulfinylpropylglucosinolate) |
| CCMSLIB00004684782 | Bronze | Glucoiberin&(3-methylsulfinylpropylglucosinolate) |
| CCMSLIB00004684783 | Bronze | Jasmonic&acid |
| CCMSLIB00004684784 | Bronze | Jasmonic&acid |
| CCMSLIB00004684785 | Bronze | 4-Methoxyglucobrassicin&&(4-Methoxy-3-indolylmethyl&glucosinolate) |
| CCMSLIB00004684786 | Bronze | 4-Methoxyglucobrassicin&&(4-Methoxy-3-indolylmethyl&glucosinolate) |
| CCMSLIB00004691028 | Bronze | MUPIROCIN |
| CCMSLIB00004691029 | Bronze | MUPIROCIN |
| CCMSLIB00004691030 | Bronze | MUPIROCIN |
| CCMSLIB00004691031 | Bronze | MUPIROCIN |
| CCMSLIB00004691032 | Bronze | Neoglucobrassicin&(1-Methoxy-3-indolylmethyl&glucosinolate) |
| CCMSLIB00004691033 | Bronze | Neoglucobrassicin&(1-Methoxy-3-indolylmethyl&glucosinolate) |
| CCMSLIB00004691042 | Bronze | Salicylic&Acid |
| CCMSLIB00004691043 | Bronze | Salicylic&Acid |
| CCMSLIB00004691044 | Bronze | Sinalbin&(p-Hydroxybenzylglucosinolate) |
| CCMSLIB00004691045 | Bronze | Sinalbin&(p-Hydroxybenzylglucosinolate) |
| CCMSLIB00004691046 | Bronze | Sinalbin&(p-Hydroxybenzylglucosinolate) |
| CCMSLIB00004691047 | Bronze | Sinalbin&(p-Hydroxybenzylglucosinolate) |
| CCMSLIB00004691049 | Bronze | Sulforaphane |
| CCMSLIB00004691048 | Bronze | Sulforaphane |
COMPOUND NPA006173
PROPERTIES
| NPAID | NPA006173 |
|---|---|
| CLUSTER ID | 1320 |
| NODE ID | 1112 |
| NAME | Pseudomonic acid A |
| FORMULA | C26H44O9 |
| MOLECULAR WEIGHT (Da) | 500.6290 |
| ACCURATE MASS (Da) | 500.2985 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens |
| InChIKey | MINDHVHHQZYEEK-HBBNESRFSA-N |
| InChI | InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1 |
| SMILES | C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chain, E B; Mellows, G Pseudomonic acid. Part 1. The structure of pseudomonic acid A, a novel antibiotic produced by Pseudomonas fluorescens Journal of the Chemical Society, Perkin Transactions 1 1977 (3) 294. | ||
|---|---|---|---|
| DOI | 10.5281/zenodo.3541226 | PMID | 402371 |
