Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000223869 | Gold | 1 |
COMPOUND NPA029030
PROPERTIES
| NPAID | NPA029030 |
|---|---|
| CLUSTER ID | 2283 |
| NODE ID | 1808 |
| NAME | Lobophorin A |
| FORMULA | C61H92N2O19 |
| MOLECULAR WEIGHT (Da) | 1157.4020 |
| ACCURATE MASS (Da) | 1156.6294 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | BFIFMYVVBKSDFE-SDIMVUDMSA-N |
| InChI | InChI=1S/C61H92N2O19/c1-27-14-17-42(78-47-25-59(10,62)54(35(9)77-47)63-58(71)73-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)82-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)80-46-23-43(50(67)32(6)74-46)79-44-22-41(66)53(34(8)76-44)81-45-21-40(65)52(72-12)33(7)75-45/h14-16,19-20,29-35,37-47,49-54,64-68H,17-18,21-26,62H2,1-13H3,(H,63,71)/b27-14-,28-19+,55-48-/t29-,30-,31+,32+,33+,34+,35+,37-,38-,39-,40-,41-,42?,43-,44-,45-,46-,47+,49+,50+,51-,52+,53+,54-,59-,60+,61?/m1/s1 |
| SMILES | COC(=O)N[C@@H]1[C@H](C)O[C@@H](OC2C/C=C(/C)[C@H]3C=C[C@@H]4[C@H]([C@H](C)C[C@@H](C)[C@H]4O[C@@H]4C[C@@H](O[C@@H]5C[C@@H](O)[C@@H](O[C@@H]6C[C@@H](O)[C@@H](OC)[C@H](C)O6)[C@H](C)O5)[C@@H](O)[C@H](C)O4)[C@@]3(C)/C(O)=C3/C(=O)OC4(C[C@H](C)C(CO)=C[C@H]4/C=C/2C)C3=O)C[C@@]1(C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhi-Dong Jiang, Paul R.Jensen, William Fenical Lobophorins A and B, new antiinflammatory macrolides produced by a tropical marine bacterium Phytochemistry 1998 9 (14) 2003-2006. | ||
|---|---|---|---|
| DOI | 10.1016/S0960-894X(99)00337-6 | PMID | 10450970 |
