Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006738
PROPERTIES
| NPAID | NPA006738 |
|---|---|
| CLUSTER ID | 2703 |
| NODE ID | 2091 |
| NAME | Hassallidin B |
| FORMULA | C68H109N11O28 |
| MOLECULAR WEIGHT (Da) | 1528.6690 |
| ACCURATE MASS (Da) | 1527.7444 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hassallia |
| ORIGIN SPECIES | sp. |
| InChIKey | NXXPOVNJKQHHHA-FWWDQGDVSA-N |
| InChI | InChI=1S/C68H109N11O28/c1-9-11-12-13-14-15-16-17-18-19-42(106-68-56(92)54(90)51(87)35(7)105-68)53(89)65(101)77-48(32(4)82)62(98)78-49-33(5)103-66(102)40(25-27-45(70)85)74-64(100)50(34(6)104-67-57(93)55(91)52(88)43(30-80)107-67)79(8)46(86)29-71-58(94)39(24-26-44(69)84)73-59(95)38(10-2)72-60(96)41(28-36-20-22-37(83)23-21-36)75-61(97)47(31(3)81)76-63(49)99/h10,20-23,31-35,39-43,47-57,67-68,80-83,87-93H,9,11-19,24-30H2,1-8H3,(H2,69,84)(H2,70,85)(H,71,94)(H,72,96)(H,73,95)(H,74,100)(H,75,97)(H,76,99)(H,77,101)(H,78,98)/b38-10-/t31?,32?,33?,34?,35-,39?,40?,41?,42?,43?,47?,48?,49?,50?,51?,52?,53?,54?,55-,56?,57-,67-,68-/m1/s1 |
| SMILES | CCCCCCCCCCCC(C(C(=O)NC(C(C)O)C(=O)NC1C(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(NC(=O)/C(=C/C)/NC(=O)C(NC(=O)C(NC1=O)C(C)O)CC2=CC=C(C=C2)O)CCC(=O)N)C)C(C)O[C@H]3[C@@H]([C@@H](C(C(O3)CO)O)O)O)CCC(=O)N)C)O)O[C@@H]4C(C(C([C@H](O4)C)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Neuhof, Torsten; Schmieder, Peter; Seibold, Michael; Preussel, Karina; Döhren, Hans von Hassallidin B-Second antifungal member of the Hassallidin family Bioorganic and Medicinal Chemistry Letters 2006 16 (16) 4220-4222. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2006.05.094 | PMID | 16777415 |
