Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00012070145 | Gold | 3 |
COMPOUND NPA024956
PROPERTIES
NPAID | NPA024956 |
---|---|
CLUSTER ID | 7600 |
NODE ID | 5198 |
NAME | Saccharonoic acid |
FORMULA | C22H37NO3 |
MOLECULAR WEIGHT (Da) | 363.5420 |
ACCURATE MASS (Da) | 363.2773 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Saccharothrix |
ORIGIN SPECIES | xinjiangensis Act24Zk |
InChIKey | IDHWXSORJXHAOU-AUAOHMEYSA-N |
InChI | InChI=1S/C22H37NO3/c1-16(2)8-7-9-17(3)12-19(5)14-20(6)13-18(4)10-11-21(24)23-15-22(25)26/h9-11,13,16,19-20H,7-8,12,14-15H2,1-6H3,(H,23,24)(H,25,26)/b11-10+,17-9+,18-13+/t19-,20+/m0/s1 |
SMILES | C[C@H](C[C@H](C)/C=C(\C)/C=C/C(=O)NCC(=O)O)C/C(=C/CCC(C)C)/C |
ORIGINAL ISOLATION REFERENCE
CITATION | Babadi ZK; Sudarman E; Ebrahimipour GH; Primahana G; Stadler M; Wink J Structurally diverse metabolites from the rare actinobacterium Saccharothrix xinjiangensis. Journal of Antibiotics 2020 73 (1) 48-55. | ||
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DOI | 10.1038/s41429-019-0223-7 | PMID | 31451754 |