Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033154
PROPERTIES
| NPAID | NPA033154 |
|---|---|
| CLUSTER ID | 31 |
| NODE ID | 30 |
| NAME | Xenoacremone A |
| FORMULA | C29H35NO5 |
| MOLECULAR WEIGHT (Da) | 477.6010 |
| ACCURATE MASS (Da) | 477.2515 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | nidulans |
| InChIKey | PVYSWTYUEABVFY-HEMIDZQVSA-N |
| InChI | InChI=1S/C29H35NO5/c1-4-17-7-10-19-20-12-14(2)11-15(3)21(20)26-23(19)22(17)25(31)24-27(32)29(34,30-28(24)33)13-16-5-8-18(35-26)9-6-16/h4-10,14-15,17,19-23,26-27,31-32,34H,1,11-13H2,2-3H3,(H,30,33)/t14-,15+,17-,19-,20+,21-,22-,23-,26-,27+,29+/m1/s1 |
| SMILES | C=C[C@@H]1C=C[C@@H]2[C@@H]3C[C@H](C)C[C@H](C)[C@H]3[C@H]3OC4=CC=C(C=C4)C[C@@]4(O)NC(=O)C(=C(O)[C@H]1[C@@H]23)[C@@H]4O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Zhiguo; Li, Wei; Zhang, Peng; Fan, Jie; Zhang, Fangbo; Wang, Caixia; Li, Shuming; Sun, Yi; Chen, Shilin; Yin, Wenbing Tricarbocyclic core formation of tyrosine-decahydrofluorenes implies a three-enzyme cascade with XenF-mediated sigmatropic rearrangement as a prerequisite Acta Pharmaceutica Sinica B 2021 11 (11) 3655-3664. | ||
|---|---|---|---|
| DOI | 10.1016/j.apsb.2021.03.034 | PMID | 34900544 |
