Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001047
PROPERTIES
| NPAID | NPA001047 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Avellanin A |
| FORMULA | C31H39N5O5 |
| MOLECULAR WEIGHT (Da) | 561.6830 |
| ACCURATE MASS (Da) | 561.2951 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Hamigera |
| ORIGIN SPECIES | avellanea |
| InChIKey | YTLVJHJIRIHWGD-YLMJERMXSA-N |
| InChI | InChI=1S/C31H39N5O5/c1-5-19(2)26-29(39)33-23-15-10-9-14-22(23)30(40)36-17-11-16-24(36)31(41)35(4)25(18-21-12-7-6-8-13-21)28(38)32-20(3)27(37)34-26/h6-10,12-15,19-20,24-26H,5,11,16-18H2,1-4H3,(H,32,38)(H,33,39)(H,34,37)/t19?,20-,24+,25-,26+/m1/s1 |
| SMILES | CCC(C)[C@H]1C(=O)NC2=CC=CC=C2C(=O)N3CCC[C@H]3C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N1)C)CC4=CC=CC=C4)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yamazaki, M; Horie, Y; Bae, K; Maebayashi, Y; Jisai, Y; Fujimoto, H New fungal metabolites avellanins A and B from Hamigera avellanea, with pressor effect Chemical and Pharmaceutical Bulletin 1987 35 (5) 2122-2124. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.35.2122 | PMID | 3664819 |
