Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021740
PROPERTIES
| NPAID | NPA021740 |
|---|---|
| CLUSTER ID | 672 |
| NODE ID | 7 |
| NAME | Aspertenol B |
| FORMULA | C34H36O12 |
| MOLECULAR WEIGHT (Da) | 636.6500 |
| ACCURATE MASS (Da) | 636.2207 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | tennesseensis |
| InChIKey | OMTAWALVOBKTKI-RPSBAGQLSA-N |
| InChI | InChI=1S/C34H36O12/c1-33(2,39)11-6-12-34(3,40)18-8-7-16(13-20(18)36)31(38)44-24-14-17-25-23(43-32(17)45-24)15-22(42-5)27-28(37)26-19(35)9-10-21(41-4)29(26)46-30(25)27/h7-10,13,15,17,24,32,35-36,39-40H,6,11-12,14H2,1-5H3/t17-,24+,32-,34+/m1/s1 |
| SMILES | C[C@](CCCC(C)(C)O)(C1=C(C=C(C=C1)C(=O)O[C@@H]2C[C@H]3[C@@H](O2)OC4=CC(=C5C(=C34)OC6=C(C=CC(=C6C5=O)O)OC)OC)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Li; Liu, Ruixing; Basnet, Buddha Bahadur; Bao, Li; Han, Junjie; Wang, Long; Liu, Hongwei New phenolic bisabolane sesquiterpenoid derivatives with cytotoxicity from Aspergillus tennesseensis /631/326/193 /631/154/309 /101/58 /82/16 brief-communication Journal of Antibiotics 2018 71 (5) 538-542. | ||
|---|---|---|---|
| DOI | 10.1038/s41429-018-0025-3 | PMID | 29416122 |
