Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022673
PROPERTIES
| NPAID | NPA022673 |
|---|---|
| CLUSTER ID | 6967 |
| NODE ID | 4803 |
| NAME | Peniisocoumarin A |
| FORMULA | C28H24O12 |
| MOLECULAR WEIGHT (Da) | 552.4880 |
| ACCURATE MASS (Da) | 552.1268 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | commune QQF-3 |
| InChIKey | CVKPNDGDFOIINI-NVPYSNMXSA-N |
| InChI | InChI=1S/C28H24O12/c1-35-13-5-11-7-17(39-27(33)19(11)15(29)9-13)21-22(24(26(32)38-4)23(21)25(31)37-3)18-8-12-6-14(36-2)10-16(30)20(12)28(34)40-18/h5-10,21-24,29-30H,1-4H3/t21-,22+,23+,24- |
| SMILES | COC1=CC(=C2C(=C1)C=C(OC2=O)[C@@H]3[C@@H]([C@H]([C@H]3C(=O)OC)C(=O)OC)C4=CC5=CC(=CC(=C5C(=O)O4)O)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel Journal of Natural Products 2018 81 (6) 1376-1383. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b01018 | PMID | 29792702 |
