Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015307
PROPERTIES
| NPAID | NPA015307 |
|---|---|
| CLUSTER ID | 66 |
| NODE ID | 62 |
| NAME | Xanthoquinodin A5 |
| FORMULA | C32H30O12 |
| MOLECULAR WEIGHT (Da) | 606.5800 |
| ACCURATE MASS (Da) | 606.1737 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Chaetomium |
| ORIGIN SPECIES | elatum (No. 63-10-3-1) |
| InChIKey | VVEOFCJJMHMGLW-JIDXXOHZSA-N |
| InChI | InChI=1S/C32H30O12/c1-13-8-16-23(17(33)9-13)28(39)25-26(37)15-6-7-31(25,29(16)40)11-14-10-19-24(27(38)22(14)15)18(34)12-32(44-19,30(41)43-3)20(35)4-5-21(36)42-2/h6-10,15,20,29,33,35,38-40H,4-5,11-12H2,1-3H3/t15-,20-,29-,31-,32+/m0/s1 |
| SMILES | CC1=CC(=C2C(=C1)[C@@H]([C@]34CC5=CC6=C(C(=O)C[C@@](O6)([C@H](CCC(=O)OC)O)C(=O)OC)C(=C5[C@H](C=C3)C(=O)C4=C2O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chen, Guo-Dong; Chen, Ying; Gao, Hao; Shen, Li-Qing; Wu, Yang; Li, Xiao-Xia; Li, Yan; Guo, Liang-Dong; Cen, Ying-Zhou; Yao, Xin-Sheng Xanthoquinodins from the endolichenic fungal strain Chaetomium elatum Journal of Natural Products 2013 76 (4) 702-709. | ||
|---|---|---|---|
| DOI | 10.1021/np400041y | PMID | 23586920 |
