Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA018598
PROPERTIES
NPAID | NPA018598 |
---|---|
CLUSTER ID | 451 |
NODE ID | 98 |
NAME | SPA-6952A |
FORMULA | C49H83NO13 |
MOLECULAR WEIGHT (Da) | 894.1970 |
ACCURATE MASS (Da) | 893.5864 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | KBPPQJSJPVPHEB-IUFKAHDJSA-N |
InChI | InChI=1S/C49H83NO13/c1-11-33(51)25-39-34(36-19-18-35(50(9)10)31(4)59-36)20-24-49(63-39)28-40-29(2)37(62-49)26-38-32(27-46(5,6)61-38)17-15-13-12-14-16-22-47(7,57)45(56)43(54)42(53)30(3)44(55)48(8,58)23-21-41(52)60-40/h15,17,21,23,29-31,33-37,39-40,42-45,51,53-58H,11-14,16,18-20,22,24-28H2,1-10H3/b17-15-,23-21- |
SMILES | CCC(CC1C(CCC2(O1)CC3C(C(O2)CC4=C(CC(O4)(C)C)/C=C\CCCCCC(C(C(C(C(C(C(/C=C\C(=O)O3)(C)O)O)C)O)O)O)(C)O)C)C5CCC(C(O5)C)N(C)C)O |
ORIGINAL ISOLATION REFERENCE
CITATION | Hosotani, Nobuo; Kumagai, Kazuo; Nakagawa, Hiroyuki; Shimatani, Takuro; Saji, Ikutaro New 24-membered macrolides SPA-6952A and B produced by Streptomyces sp Journal of Antibiotics 2005 58 (6) 409-411. | ||
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DOI | 10.1038/ja.2005.52 | PMID | 16156518 |