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Compounds

COMPOUND NPA012466

STRUCTURE
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PROPERTIES
NPAID NPA012466
CLUSTER ID 1127
NODE ID 963
NAME Halichoblelide
FORMULA C54H86O19
MOLECULAR WEIGHT (Da) 1039.2630
ACCURATE MASS (Da) 1038.5763
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Streptomyces
ORIGIN SPECIES hygroscopicus
InChIKey WHGMZPUQBXTMDL-FLCDBGADSA-N
InChI InChI=1S/C54H86O19/c1-13-36-33(10)73-54(64,25-40(36)68-43-23-38(55)47(61)34(11)65-43)31(8)46(60)29(6)50-27(4)20-16-18-21-41(57)69-49(26(3)19-15-17-22-42(58)70-50)28(5)45(59)30(7)52(63)72-53-51(37(14-2)32(9)67-53)71-44-24-39(56)48(62)35(12)66-44/h15-22,26-40,43-51,53,55-56,59-62,64H,13-14,23-25H2,1-12H3/b19-15+,20-16+,21-18+,22-17+/t26-,27-,28-,29-,30-,31-,32-,33+,34-,35-,36+,37-,38-,39-,40+,43-,44-,45+,46+,47+,48+,49-,50-,51+,53+,54+/m0/s1
SMILES CC[C@H]1[C@@H](O[C@@H]([C@@H]1O[C@H]2C[C@@H]([C@@H]([C@@H](O2)C)O)O)OC(=O)[C@@H](C)[C@@H]([C@H](C)[C@@H]3[C@H](/C=C/C=C/C(=O)O[C@@H]([C@H](/C=C/C=C/C(=O)O3)C)[C@@H](C)[C@H]([C@H](C)[C@]4(C[C@H]([C@@H]([C@H](O4)C)CC)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)O)O)O)C)O)C
ORIGINAL ISOLATION REFERENCE
CITATION Yamada, Takeshi; Minoura, Katsuhiko; Numata, Atsushi Halichoblelide, a potent cytotoxic macrolide from a Streptomyces species separated from a marine fish Tetrahedron Letters 2002 43 (9) 1721-1724.
DOI 10.1016/s0040-4039(02)00102-8 PMID -
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Actinobacteria LPSN 201174
Class Actinobacteria LPSN -
Order Streptomycetales LPSN 85011
Family Streptomycetaceae LPSN 2062
Genus Streptomyces LPSN 1883
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