Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018730
PROPERTIES
NPAID | NPA018730 |
---|---|
CLUSTER ID | 2581 |
NODE ID | 2015 |
NAME | Rhizoxin M1 |
FORMULA | C35H49NO9 |
MOLECULAR WEIGHT (Da) | 627.7750 |
ACCURATE MASS (Da) | 627.3407 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Burkholderia |
ORIGIN SPECIES | sp. |
InChIKey | SYVYSCPBRIHWQE-VRAWKDPKSA-N |
InChI | InChI=1S/C35H49NO9/c1-21(16-27-20-43-25(5)36-27)10-8-11-23(3)34(41)24(4)29-19-30(38)35(6)31(45-35)15-14-22(2)28(37)17-26(18-33(40)42-7)12-9-13-32(39)44-29/h8-11,13-16,20,22,24,26,28-31,34,37-38,41H,12,17-19H2,1-7H3/b10-8+,13-9-,15-14-,21-16+,23-11+/t22-,24+,26-,28?,29?,30+,31-,34+,35?/m1/s1 |
SMILES | C[C@@H]1/C=C\[C@@H]2C(O2)([C@H](CC(OC(=O)/C=C\C[C@H](CC1O)CC(=O)OC)[C@H](C)[C@H](/C(=C/C=C/C(=C/C3=COC(=N3)C)/C)/C)O)O)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Scherlach, Kirstin; Partida-Martinez, Laila P.; Dahse, Hans-Martin; Hertweck, Christian Antimitotic Rhizoxin Derivatives from a Cultured Bacterial Endosymbiont of the Rice Pathogenic Fungus Rhizopus microsporus Journal of the American Chemical Society 2006 128 (35) 11529-11536. | ||
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DOI | 10.1021/ja062953o | PMID | 16939276 |