Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001215
PROPERTIES
| NPAID | NPA001215 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Mixirin C |
| FORMULA | C47H72N12O14 |
| MOLECULAR WEIGHT (Da) | 1029.1630 |
| ACCURATE MASS (Da) | 1028.5291 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. |
| InChIKey | CIJXGEKDXKOIJC-GLFYDVLESA-N |
| InChI | InChI=1S/C47H72N12O14/c1-3-25(2)9-6-4-5-7-10-27-20-40(66)53-31(21-37(49)63)43(69)55-30(19-26-12-14-28(61)15-13-26)42(68)56-32(22-38(50)64)44(70)54-29(16-17-36(48)62)41(67)58-34(24-60)45(71)57-33(23-39(51)65)47(73)59-18-8-11-35(59)46(72)52-27/h12-15,25,27,29-35,60-61H,3-11,16-24H2,1-2H3,(H2,48,62)(H2,49,63)(H2,50,64)(H2,51,65)(H,52,72)(H,53,66)(H,54,70)(H,55,69)(H,56,68)(H,57,71)(H,58,67)/t25?,27?,29-,30+,31-,32-,33-,34-,35+/m0/s1 |
| SMILES | CCC(C)CCCCCCC1CC(=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 |
