Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023367
PROPERTIES
| NPAID | NPA023367 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Asperindole A |
| FORMULA | C29H32ClNO6 |
| MOLECULAR WEIGHT (Da) | 526.0290 |
| ACCURATE MASS (Da) | 525.1918 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. |
| InChIKey | TXNJCXRRMWHWPI-VZTTULSBSA-N |
| InChI | InChI=1S/C29H32ClNO6/c1-15(32)36-25(2)14-35-29-10-9-26(3)27(4)16(7-8-28(26,34)22(29)13-21(33)24(25)37-29)11-19-18-6-5-17(30)12-20(18)31-23(19)27/h5-6,12-13,16,24,31,34H,7-11,14H2,1-4H3/t16-,24-,25-,26+,27+,28+,29+/m0/s1 |
| SMILES | CC(=O)O[C@]1(CO[C@@]23CC[C@@]4([C@@]5([C@@H](CC[C@]4(C2=CC(=O)[C@@H]1O3)O)CC6=C5NC7=C6C=CC(=C7)Cl)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ivanets, Elena V.; Yurchenko, Anton N.; Smetanina, Olga F.; Rasin, Anton B.; Zhuravleva, Olesya I.; Pivkin, Mikhail V.; Popov, Roman S.; von Amsberg, Gunhild; Afiyatullov, Shamil Sh.; Dyshlovoy, Sergey A. Asperindoles A–D and a p-terphenyl derivative from the ascidian-derived fungus Aspergillus sp. KMM 4676 Marine Drugs 2018 16 (7) None. | ||
|---|---|---|---|
| DOI | 10.3390/md16070232 | PMID | 29987238 |
