Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA012218
PROPERTIES
NPAID | NPA012218 |
---|---|
CLUSTER ID | 4618 |
NODE ID | 3366 |
NAME | Xanthomonadin I |
FORMULA | C28H30Br2O3 |
MOLECULAR WEIGHT (Da) | 574.3530 |
ACCURATE MASS (Da) | 572.0562 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Xanthomonas |
ORIGIN SPECIES | juglandis |
InChIKey | BYOONNMUFDGRQH-FKBBIVLOSA-N |
InChI | InChI=1S/C28H30Br2O3/c1-23(2)22-33-28(31)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-25(29)24-19-20-26(30)27(21-24)32-3/h4-21,23H,22H2,1-3H3/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,18-16+,25-17- |
SMILES | CC(C)COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C(/C1=CC(=C(C=C1)Br)OC)\Br |
ORIGINAL ISOLATION REFERENCE
CITATION | Andrewes, AG; Jenkins, CL; Starr, MP; Shepherd, J; Hope, H Structure of xanthomonadin I, a novel dibrominated aryl-polyene pigment produced by the bacterium Xanthomonas juglandis Tetrahedron Letters 1976 17 (45) 4023-4024. | ||
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DOI | 10.1016/s0040-4039(00)92565-6 | PMID | - |