Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025153
PROPERTIES
| NPAID | NPA025153 |
|---|---|
| CLUSTER ID | 1213 |
| NODE ID | 1031 |
| NAME | (4′E,1S,6S,7R,10S,6′S,7′R)-aspergilloid A |
| FORMULA | C30H40O10 |
| MOLECULAR WEIGHT (Da) | 560.6400 |
| ACCURATE MASS (Da) | 560.2621 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus |
| InChIKey | GINWPXGJOUQXPN-AUWHNZDYSA-N |
| InChI | InChI=1S/C30H40O10/c1-15(2)20-6-5-17-12-38-28(35)24(17)22(20)9-18(11-31)27(34)40-14-30(37)8-7-21(16(3)4)23-10-19(26(32)33)13-39-29(36)25(23)30/h9-10,15-16,20-23,25,31,37H,5-8,11-14H2,1-4H3,(H,32,33)/b18-9+/t20-,21-,22-,23-,25-,30-/m1/s1 |
| SMILES | CC(C)[C@H]1CCC2=C([C@@H]1/C=C(\CO)/C(=O)OC[C@@]3(CC[C@@H]([C@@H]4[C@@H]3C(=O)OCC(=C4)C(=O)O)C(C)C)O)C(=O)OC2 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu Z; Zhao JY; Sun SF; Li Y; Qu J; Liu HT; Liu YB Sesquiterpenes from an Endophytic Aspergillus flavus. Journal of Natural Products 2019 82 (5) 1063-1071. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.8b01084 | PMID | 31050424 |
