Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478461 | Silver | Shearinine&D_130028 |
COMPOUND NPA000089
PROPERTIES
| NPAID | NPA000089 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Shearinine E |
| FORMULA | C37H45NO6 |
| MOLECULAR WEIGHT (Da) | 599.7680 |
| ACCURATE MASS (Da) | 599.3247 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | janthinellum |
| InChIKey | DFVYLDHDFLHIAA-JFZFNNSQSA-N |
| InChI | InChI=1S/C37H45NO6/c1-31(2)17-23-19-15-24-20(14-21(19)28(40)27(23)32(3,4)43-31)22-13-18-9-10-36(41)26-16-25(39)30-33(5,6)44-37(26,42-30)12-11-34(36,7)35(18,8)29(22)38-24/h14-18,27-28,30,38,40-41H,9-13H2,1-8H3/t18-,27?,28?,30-,34+,35+,36+,37-/m0/s1 |
| SMILES | C[C@]12CC[C@]34C(=CC(=O)[C@H](O3)C(O4)(C)C)[C@@]1(CC[C@@H]5[C@@]2(C6=C(C5)C7=CC8=C(C=C7N6)C9=CC(OC(C9C8O)(C)C)(C)C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Smetanina, Olga F.; Kalinovsky, Anatoly I.; Khudyakova, Yuliya V.; Pivkin, Mikhail V.; Dmitrenok, Pavel S.; Fedorov, Sergey N.; Ji, Hong; Kwak, Jong-Young; Kuznetsova, Tatyana A. Indole alkaloids produced by a marine fungus isolate of Penicillium janthinellum biourge Journal of Natural Products 2007 70 (6) 906-909. | ||
|---|---|---|---|
| DOI | 10.1021/np060396d | PMID | 17555349 |
