Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024993
PROPERTIES
| NPAID | NPA024993 |
|---|---|
| CLUSTER ID | 526 |
| NODE ID | 471 |
| NAME | Miophytocen D |
| FORMULA | C29H40O9 |
| MOLECULAR WEIGHT (Da) | 532.6300 |
| ACCURATE MASS (Da) | 532.2672 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Podostroma |
| ORIGIN SPECIES | cornu-damae |
| InChIKey | UOCCUNQTUJJNLV-ZYPGXLDSSA-N |
| InChI | InChI=1S/C29H40O9/c1-17-9-12-35-20(18(2)30)7-5-6-8-23(31)37-21-14-22-29(34)15-19-25(38-22)28(27(21,29)4,11-10-26(19,3)33)16-36-24(32)13-17/h5-8,13,18-22,25,30,33-34H,9-12,14-16H2,1-4H3/b7-5+,8-6-,17-13+/t18-,19+,20-,21-,22-,25-,26+,27-,28-,29+/m1/s1 |
| SMILES | C/C/1=C\C(=O)OC[C@]23CC[C@]([C@@H]4[C@H]2O[C@@H]5C[C@H]([C@]3([C@@]5(C4)O)C)OC(=O)/C=C\C=C\[C@@H](OCC1)[C@@H](C)O)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lee SR; Seok S; Ryoo R; Choi SU; Kim KH Macrocyclic Trichothecene Mycotoxins from a Deadly Poisonous Mushroom, Podostroma cornu-damae. Journal of Natural Products 2019 82 (1) 122-128. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b00823 | PMID | 30457333 |
