Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008584
PROPERTIES
NPAID | NPA008584 |
---|---|
CLUSTER ID | 242 |
NODE ID | 222 |
NAME | Milbemycin α29 |
FORMULA | C43H59NO12 |
MOLECULAR WEIGHT (Da) | 781.9400 |
ACCURATE MASS (Da) | 781.4037 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | bingchenggensis |
InChIKey | XSHPBAFYEVNLOX-NLUCSBGGSA-N |
InChI | InChI=1S/C43H59NO12/c1-23(2)16-26(5)39(47)54-36-27(6)28(7)55-42(37(36)46)20-32-19-31(56-42)14-13-25(4)17-24(3)10-8-11-30-22-51-38-35(45)29(18-33(40(48)53-32)43(30,38)50)21-52-41(49)34-12-9-15-44-34/h8-13,15,18,23-24,26-28,31-33,35-38,44-46,50H,14,16-17,19-22H2,1-7H3/b10-8-,25-13-,30-11-/t24-,26?,27+,28+,31+,32-,33-,35+,36-,37+,38+,42+,43+/m0/s1 |
SMILES | C[C@@H]\1C/C(=C\C[C@@H]2C[C@@H](C[C@@]3(O2)[C@@H]([C@H]([C@@H]([C@H](O3)C)C)OC(=O)C(C)CC(C)C)O)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C\C=C1)/CO5)O)O)COC(=O)C6=CC=CN6)/C |
ORIGINAL ISOLATION REFERENCE
CITATION | Xiang, Wen-Sheng; Wang, Ji-Dong; Wang, Xiang-Jing; Zhang, Ji; Wang, Ze Further New Milbemycin Antibiotics from Streptomyces bingchenggensis Journal of Antibiotics 2007 60 (10) 608-613. | ||
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DOI | 10.1038/ja.2007.78 | PMID | 17965476 |