Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA005560
PROPERTIES
| NPAID | NPA005560 |
|---|---|
| CLUSTER ID | 977 |
| NODE ID | 694 |
| NAME | Decatromicin A |
| FORMULA | C45H57ClN2O10 |
| MOLECULAR WEIGHT (Da) | 821.4080 |
| ACCURATE MASS (Da) | 820.3702 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | sp. MK73-NF4 |
| InChIKey | LSANQCYQTPFAGU-PRRJNIGWSA-N |
| InChI | InChI=1S/C45H57ClN2O10/c1-7-26-21-45-39(51)34(42(55)58-45)38(50)44(8-2)27(12-10-9-11-23(3)20-43(45,6)22-29(26)41(53)54)14-15-28-30(44)16-13-24(4)37(28)57-33-19-32(49)35(25(5)56-33)48-40(52)36-31(46)17-18-47-36/h9-10,14-15,17-18,20,22,24-28,30,32-33,35,37,47,49-50H,7-8,11-13,16,19,21H2,1-6H3,(H,48,52)(H,53,54)/b10-9+,23-20+,38-34?/t24-,25+,26-,27+,28-,30+,32+,33-,35+,37-,43-,44+,45+/m0/s1 |
| SMILES | CC[C@H]1C[C@@]23C(=O)C(=C([C@]4([C@@H]5CC[C@@H]([C@@H]([C@H]5C=C[C@H]4C/C=C/C/C(=C/[C@]2(C=C1C(=O)O)C)/C)O[C@H]6C[C@H]([C@@H]([C@H](O6)C)NC(=O)C7=C(C=CN7)Cl)O)C)CC)O)C(=O)O3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Momose, Isao; Hirosawa, Sehei; Nakamura, Hikaru; Naganawa, Hiroshi; Iinuma, Hironobu; Ikeda, Daishiro; Takeuchi, Tomio Decatromicins A and B, new antibiotics produced by Actinomadura sp. MK73-NF4. II. Structure determination Journal of Antibiotics 1999 52 (9) 787-796. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.787 | PMID | 10726926 |
