Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025212
PROPERTIES
| NPAID | NPA025212 |
|---|---|
| CLUSTER ID | 142 |
| NODE ID | 135 |
| NAME | Clavariopsin G |
| FORMULA | C59H95N9O14 |
| MOLECULAR WEIGHT (Da) | 1154.4580 |
| ACCURATE MASS (Da) | 1153.6998 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Clavariopsis |
| ORIGIN SPECIES | aquatica |
| InChIKey | HVHBHBXGBXITQA-ZEYDOXAQSA-N |
| InChI | InChI=1S/C59H95N9O14/c1-19-37(12)49-57(78)63(13)42(28-32(2)3)51(72)60-31-44(69)65(15)47(34(6)7)52(73)61-40(29-38-23-25-39(81-18)26-24-38)59(80)82-50(36(10)11)58(79)68-27-21-20-22-41(68)54(75)66(16)48(35(8)9)53(74)62-46(33(4)5)56(77)64(14)43(30-45(70)71)55(76)67(49)17/h23-26,32-37,40-43,46-50H,19-22,27-31H2,1-18H3,(H,60,72)(H,61,73)(H,62,74)(H,70,71)/t37-,40-,41-,42-,43-,46-,47-,48-,49-,50+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=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)N1C)CC(=O)O)C)C(C)C)C(C)C)C)C(C)C)CC3=CC=C(C=C3)OC)C(C)C)C)CC(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 |
