Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025209
PROPERTIES
| NPAID | NPA025209 |
|---|---|
| CLUSTER ID | 142 |
| NODE ID | 135 |
| NAME | Clavariopsin D |
| FORMULA | C58H93N9O14 |
| MOLECULAR WEIGHT (Da) | 1140.4310 |
| ACCURATE MASS (Da) | 1139.6842 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Clavariopsis |
| ORIGIN SPECIES | aquatica |
| InChIKey | QQADUBFHFOQUDI-HPNSOWIOSA-N |
| InChI | InChI=1S/C58H93N9O14/c1-19-36(12)48-50(71)59-30-42(68)63(14)45(32(4)5)51(72)60-39(28-37-23-25-38(80-18)26-24-37)58(79)81-49(35(10)11)57(78)67-27-21-20-22-40(67)53(74)64(15)46(33(6)7)52(73)61-44(31(2)3)55(76)62(13)41(29-43(69)70)54(75)65(16)47(34(8)9)56(77)66(48)17/h23-26,31-36,39-41,44-49H,19-22,27-30H2,1-18H3,(H,59,71)(H,60,72)(H,61,73)(H,69,70)/t36-,39-,40-,41-,44-,45-,46-,47-,48-,49+/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(C)C)C)CC(=O)O)C)C(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 |
