Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030049
PROPERTIES
| NPAID | NPA030049 |
|---|---|
| CLUSTER ID | 66 |
| NODE ID | 62 |
| NAME | Engyodontochone F |
| FORMULA | C33H30O13 |
| MOLECULAR WEIGHT (Da) | 634.5900 |
| ACCURATE MASS (Da) | 634.1686 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Engyodontium |
| ORIGIN SPECIES | album LF069 |
| InChIKey | XJOGORFZWPNKFH-XPMXPIDHSA-N |
| InChI | InChI=1S/C33H30O13/c1-13-10-32-11-15-9-18(36)25-19(37)12-33(31(43)44-3,20(38)7-8-21(39)40)46-29(25)23(15)22(13)27(41)26(32)28(42)24-16(5-4-6-17(24)35)30(32)45-14(2)34/h4-6,9-10,20,22,30,35-36,38,42H,7-8,11-12H2,1-3H3,(H,39,40)/t20?,22-,30-,32-,33+/m0/s1 |
| SMILES | COC(=O)[C@]1(C(O)CCC(=O)O)CC(=O)C2=C(O)C=C3C[C@@]45C=C(C)[C@H](C(=O)C4=C(O)C4=C(C=CC=C4O)[C@@H]5OC(C)=O)C3=C2O1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wu, B; Wiese, J; Wenzel-Storjohann, A; Malien, S; Schmaljohann, R; Imhoff, JF Engyodontochones, Antibiotic Polyketides from the Marine Fungus Engyodontium album Strain LF069. Chemistry - A European Journal 2016 22 (22) 7452-7462. | ||
|---|---|---|---|
| DOI | 10.1002/chem.201600430 | PMID | 27098103 |
