Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA014968
PROPERTIES
NPAID | NPA014968 |
---|---|
CLUSTER ID | 352 |
NODE ID | 317 |
NAME | Homodolastatin 16 |
FORMULA | C48H72N6O10 |
MOLECULAR WEIGHT (Da) | 893.1360 |
ACCURATE MASS (Da) | 892.5310 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Lyngbya |
ORIGIN SPECIES | majuscula |
InChIKey | FHDYETHRKSGXJQ-BHNJPRHWSA-N |
InChI | InChI=1S/C48H72N6O10/c1-11-29(6)39-45(59)53-24-16-21-35(53)42(56)50-38(30(7)26-33-18-13-12-14-19-33)44(58)52-23-15-20-34(52)41(55)49-37(27(2)3)31(8)47(61)63-32(9)43(57)54-25-17-22-36(54)48(62)64-40(28(4)5)46(60)51(39)10/h12-14,18-19,27-32,34-40H,11,15-17,20-26H2,1-10H3,(H,49,55)(H,50,56)/t29-,30?,31?,32?,34+,35+,36+,37?,38?,39-,40-/m1/s1 |
SMILES | CC[C@@H](C)[C@@H]1C(=O)N2CCC[C@H]2C(=O)NC(C(=O)N3CCC[C@H]3C(=O)NC(C(C(=O)OC(C(=O)N4CCC[C@H]4C(=O)O[C@@H](C(=O)N1C)C(C)C)C)C)C(C)C)C(C)CC5=CC=CC=C5 |
ORIGINAL ISOLATION REFERENCE
CITATION | Davies-Coleman, Michael T.; Dzeha, Thomas M.; Gray, Christopher A.; Hess, Sonja; Pannell, Lewis K.; Hendricks, Denver T.; Arendse, Catherine E. Isolation of homodolastatin 16, a new cyclic depsipeptide from a Kenyan collection of Lyngbya majuscula Journal of Natural Products 2003 66 (5) 712-715. | ||
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DOI | 10.1021/np030014t | PMID | 12762816 |