Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA021850
PROPERTIES
NPAID | NPA021850 |
---|---|
CLUSTER ID | 4417 |
NODE ID | 3243 |
NAME | Mohangic acid E |
FORMULA | C32H47NO11 |
MOLECULAR WEIGHT (Da) | 621.7240 |
ACCURATE MASS (Da) | 621.3149 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | FKOZUOZLANCREK-VZHUOFTASA-N |
InChI | InChI=1S/C32H47NO11/c1-18(8-6-4-5-7-9-23(35)15-27(38)39)28(40)20(3)14-19(2)24(36)16-25(37)21-10-12-22(13-11-21)33-32-31(43)30(42)29(41)26(17-34)44-32/h4-13,18-20,23-24,26,28-36,40-43H,14-17H2,1-3H3,(H,38,39)/b5-4+,8-6+,9-7+/t18-,19-,20-,23+,24-,26-,28-,29-,30+,31-,32-/m1/s1 |
SMILES | C[C@H](C[C@@H](C)[C@@H]([C@H](C)/C=C/C=C/C=C/[C@@H](CC(=O)O)O)O)[C@@H](CC(=O)C1=CC=C(C=C1)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Bae, Munhyung; Moon, Kyuho; Kim, Jihye; Park, Hyen Joo; Lee, Sang Kook; Shin, Jongheon; Oh, Dong-Chan Mohangic Acids A-E, p-Aminoacetophenonic Acids from a Marine-Mudflat-Derived Streptomyces sp. Journal of Natural Products 2016 79 (2) 332-339. | ||
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DOI | 10.1021/acs.jnatprod.5b00956 | PMID | 26798949 |