Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011743
PROPERTIES
| NPAID | NPA011743 |
|---|---|
| CLUSTER ID | 1515 |
| NODE ID | 1244 |
| NAME | Antineocyclocitrinol A |
| FORMULA | C25H36O4 |
| MOLECULAR WEIGHT (Da) | 400.5590 |
| ACCURATE MASS (Da) | 400.2614 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | purpurogenum |
| InChIKey | HDGOYEAHQQCXLC-XZJXXYMKSA-N |
| InChI | InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10-/t15-,17-,18-,19+,21+,22-,23-,25+/m0/s1 |
| SMILES | C[C@@H]([C@H](/C=C(/C)\[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC(=O)[C@@H]4C[C@H](CC=C3C4)O)C)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xia, Ming-Wen; Cui, Cheng-Bin; Li, Chang-Wei; Wu, Chang-Jing Three new and eleven known unusual C25 steroids: Activated production of silent metabolites in a marine-derived fungus by chemical mutagenesis strategy using diethyl sulphate Marine Drugs 2014 12 (3) 1545-1568. | ||
|---|---|---|---|
| DOI | 10.3390/md12031545 | PMID | 24633254 |
