Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA022821
PROPERTIES
NPAID | NPA022821 |
---|---|
CLUSTER ID | 7017 |
NODE ID | 4834 |
NAME | Metatricycloene |
FORMULA | C22H23NO4 |
MOLECULAR WEIGHT (Da) | 365.4290 |
ACCURATE MASS (Da) | 365.1627 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | AQEGYTZKJNBFQS-KIMWIMGTSA-N |
InChI | InChI=1S/C22H23NO4/c23-19(24)9-6-5-7-15-11-12-16-13-14-18-22(16)21(15)17(27-18)8-3-1-2-4-10-20(25)26/h1-18,21-22H,(H2,23,24)(H,25,26)/b2-1+,7-5+,8-3+,9-6+,10-4+ |
SMILES | C1=CC(C2C(OC3C2C1C=C3)/C=C/C=C/C=C/C(=O)O)/C=C/C=C/C(=O)N |
ORIGINAL ISOLATION REFERENCE
CITATION | Iqbal, Hala A.; Low-Beinart, Lila; Obiajulu, Joseph U.; Brady, Sean F. Natural Product Discovery through Improved Functional Metagenomics in Streptomyces Journal of the American Chemical Society 2016 138 (30) 9341-9344. | ||
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DOI | 10.1021/jacs.6b02921 | PMID | 27447056 |