Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026433
PROPERTIES
| NPAID | NPA026433 |
|---|---|
| CLUSTER ID | 526 |
| NODE ID | 471 |
| NAME | 6′,12′-epoxymyrotoxin A |
| FORMULA | C27H32O9 |
| MOLECULAR WEIGHT (Da) | 500.5440 |
| ACCURATE MASS (Da) | 500.2046 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Myrothecium |
| ORIGIN SPECIES | roridum |
| InChIKey | CCAQACMMYKFZRW-LAXHBDILSA-N |
| InChI | InChI=1S/C27H32O9/c1-15-6-8-24-13-30-21(29)20-25(35-20)9-10-31-27(22(25)36-27)7-4-3-5-19(28)34-16-12-18(33-17(24)11-15)26(14-32-26)23(16,24)2/h3,5,11,16-18,20,22H,4,6-10,12-14H2,1-2H3/b5-3-/t16-,17-,18-,20?,22+,23-,24-,25+,26+,27+/m1/s1 |
| SMILES | CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\CC[C@@]56OCC[C@@]7(OC7C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)[C@@H]5O6 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Soytong, Kasem; Unartngam, Arm; Tontapha, Sarawut; Amornkitbamrung, Vittaya; Kanokmedhakul, Somdej Types A and D Trichothecene Mycotoxins from the Fungus Myrothecium roridum Planta Medica 2019 85 (9-10) 774-780. | ||
|---|---|---|---|
| DOI | 10.1055/a-0895-5753 | PMID | 31026874 |
