Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025207
PROPERTIES
| NPAID | NPA025207 |
|---|---|
| CLUSTER ID | 142 |
| NODE ID | 135 |
| NAME | Clavariopsin I |
| FORMULA | C60H97N9O14 |
| MOLECULAR WEIGHT (Da) | 1168.4850 |
| ACCURATE MASS (Da) | 1167.7155 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Clavariopsis |
| ORIGIN SPECIES | aquatica |
| InChIKey | MHMIETPGIXSGTI-WDOHEIGZSA-N |
| InChI | InChI=1S/C60H97N9O14/c1-19-37(11)49-52(73)61-32-45(70)65(14)47(34(5)6)53(74)63-42(30-39-24-26-40(82-18)27-25-39)60(81)83-51(36(9)10)59(80)69-28-22-21-23-43(69)56(77)66(15)48(35(7)8)54(75)62-41(29-33(3)4)55(76)64(13)44(31-46(71)72)57(78)68(17)50(38(12)20-2)58(79)67(49)16/h24-27,33-38,41-44,47-51H,19-23,28-32H2,1-18H3,(H,61,73)(H,62,75)(H,63,74)(H,71,72)/t37-,38-,41-,42-,43-,44-,47-,48-,49-,50-,51+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N2CCCC[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)[C@@H](C)CC)C)CC(=O)O)C)CC(C)C)C(C)C)C)C(C)C)CC3=CC=C(C=C3)OC)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Soe TW; Han C; Fudou R; Kaida K; Sawaki Y; Tomura T; Ojika M Clavariopsins C-I, Antifungal Cyclic Depsipeptides from the Aquatic Hyphomycete Clavariopsis aquatica. Journal of Natural Products 2019 82 (7) 1971-1978. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.9b00366 | PMID | 31244144 |
