Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA010841
PROPERTIES
NPAID | NPA010841 |
---|---|
CLUSTER ID | 46 |
NODE ID | 11 |
NAME | Arimetamycin A |
FORMULA | C39H52N2O13 |
MOLECULAR WEIGHT (Da) | 756.8460 |
ACCURATE MASS (Da) | 756.3469 |
ORIGIN ORGANISM TYPE | Fungus |
ORIGIN GENUS | Unknown-fungus |
ORIGIN SPECIES | sp. |
InChIKey | ORGPJBCXHIHCRV-YYNSTCJCSA-N |
InChI | InChI=1S/C39H52N2O13/c1-17-33(40(6)7)38(4,47)16-25(51-17)54-35-18(2)52-24(15-37(35,3)41(8)9)53-32-28-22(34(46)39(5,48)36(32)50-11)14-21-27(31(28)45)30(44)26-20(29(21)43)12-19(49-10)13-23(26)42/h12-14,17-18,24-25,32-33,35-36,42,45,47-48H,15-16H2,1-11H3/t17-,18-,24-,25-,32+,33+,35+,36-,37-,38-,39+/m0/s1 |
SMILES | C[C@H]1[C@H]([C@@](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@]2(C)N(C)C)O[C@H]3[C@@H]([C@](C(=O)C4=C3C(=C5C(=C4)C(=O)C6=CC(=CC(=C6C5=O)O)OC)O)(C)O)OC)C)(C)O)N(C)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Kang, Hahk-Soo; Brady, Sean F Arimetamycin A: improving clinically relevant families of natural products through sequence-guided screening of soil metagenomes Angewandte Chemie International Edition 2013 52 (42) 11063-11067. | ||
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DOI | 10.1002/anie.201305109 | PMID | 24038656 |