Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001442
PROPERTIES
| NPAID | NPA001442 |
|---|---|
| CLUSTER ID | 943 |
| NODE ID | 811 |
| NAME | Spirobrocazine B |
| FORMULA | C19H16N2O4S |
| MOLECULAR WEIGHT (Da) | 368.4140 |
| ACCURATE MASS (Da) | 368.0831 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | brocae MA-231 |
| InChIKey | QEJFLMXVVNWJQD-RBUKOAKNSA-N |
| InChI | InChI=1S/C19H16N2O4S/c1-26-19-10-12-6-4-7-13(22)15(12)21(19)17(24)18(20-16(19)23)9-11-5-2-3-8-14(11)25-18/h2-8,22H,9-10H2,1H3,(H,20,23)/t18-,19+/m0/s1 |
| SMILES | CS[C@@]12CC3=C(N1C(=O)[C@@]4(CC5=CC=CC=C5O4)NC2=O)C(=CC=C3)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Meng, Ling-Hong; Wang, Chen-Yin; Mándi, Attila; Li, Xiao-Ming; Hu, Xue-Yi; Kassack, Matthias U.; Kurtán, Tibor; Wang, Bin-Gui Three Diketopiperazine Alkaloids with Spirocyclic Skeletons and One Bisthiodiketopiperazine Derivative from the Mangrove-Derived Endophytic Fungus Penicillium brocae MA-231 Organic Letters 2016 18 (20) 5304-5307. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b02620 | PMID | 27723361 |
