Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA013015
PROPERTIES
NPAID | NPA013015 |
---|---|
CLUSTER ID | 394 |
NODE ID | 355 |
NAME | Chondrochloren B |
FORMULA | C28H42ClNO7 |
MOLECULAR WEIGHT (Da) | 540.0970 |
ACCURATE MASS (Da) | 539.2650 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Chondromyces |
ORIGIN SPECIES | crocatus |
InChIKey | BIBQKWSSQXEIHK-IRFDLBBPSA-N |
InChI | InChI=1S/C28H42ClNO7/c1-7-9-10-17(3)24(32)19(5)25(33)18(4)15-23(36-6)26(34)27(37-8-2)28(35)30-14-13-20-11-12-22(31)21(29)16-20/h11-17,19,23-24,26-27,31-32,34H,7-10H2,1-6H3,(H,30,35)/b14-13-,18-15+/t17-,19+,23-,24+,26-,27-/m1/s1 |
SMILES | CCCC[C@@H](C)[C@@H]([C@H](C)C(=O)/C(=C/[C@H]([C@H]([C@H](C(=O)N/C=C\C1=CC(=C(C=C1)O)Cl)OCC)O)OC)/C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Rachid, Shwan; Scharfe, Maren; Blöcker, Helmut; Weissman, Kira J; Müller, Rolf Unusual chemistry in the biosynthesis of the antibiotic chondrochlorens Chemistry & Biology 2009 16 (1) 70. | ||
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DOI | 10.1016/j.chembiol.2008.11.005 | PMID | 19171307 |