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Compounds

COMPOUND NPA014583

STRUCTURE
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PROPERTIES
NPAID NPA014583
CLUSTER ID 92
NODE ID 87
NAME Epothilone G1
FORMULA C26H39NO7
MOLECULAR WEIGHT (Da) 477.5980
ACCURATE MASS (Da) 477.2727
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Sorangium
ORIGIN SPECIES cellulosum
InChIKey VKTJUSLRQGGFQY-KKQRBIROSA-N
InChI InChI=1S/C26H39NO7/c1-14-8-7-9-19-21(33-19)11-20(15(2)10-18-13-32-17(4)27-18)34-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1
SMILES C[C@H]1CCC[C@@H]2[C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=COC(=N3)C)/C
ORIGINAL ISOLATION REFERENCE
CITATION Hardt; Steinmetz; Gerth; Sasse; Reichenbach; Hoefle New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: Isolation, structure elucidation, and SAR studies Journal of Natural Products 2001 64 (7) 847-856.
DOI 10.1021/np000629f PMID 11473410
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Proteobacteria LPSN 1224
Class Deltaproteobacteria LPSN 28221
Order Myxococcales LPSN 29
Family Polyangiaceae LPSN 49
Genus Sorangium LPSN 39643
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