Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000359
PROPERTIES
| NPAID | NPA000359 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Mixirin B |
| FORMULA | C45H68N12O14 |
| MOLECULAR WEIGHT (Da) | 1001.1090 |
| ACCURATE MASS (Da) | 1000.4978 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. |
| InChIKey | KPNOFTRLFQRDDJ-SPEXPSQKSA-N |
| InChI | InChI=1S/C45H68N12O14/c1-2-3-4-5-6-7-9-25-19-38(64)51-29(20-35(47)61)41(67)53-28(18-24-11-13-26(59)14-12-24)40(66)54-30(21-36(48)62)42(68)52-27(15-16-34(46)60)39(65)56-32(23-58)43(69)55-31(22-37(49)63)45(71)57-17-8-10-33(57)44(70)50-25/h11-14,25,27-33,58-59H,2-10,15-23H2,1H3,(H2,46,60)(H2,47,61)(H2,48,62)(H2,49,63)(H,50,70)(H,51,64)(H,52,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)/t25?,27-,28+,29-,30-,31-,32-,33+/m0/s1 |
| SMILES | CCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N1)CC(=O)N)CO)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Hai Long; Hua, Hui Ming; Pei, Yue Hu; Yao, Xin Sheng Three new cytotoxic cyclic acylpeptides from marine Bacillus sp Chemical and Pharmaceutical Bulletin 2004 52 (8) 1029-1030. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.52.1029 | PMID | 15305011 |
