Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024667
PROPERTIES
| NPAID | NPA024667 |
|---|---|
| CLUSTER ID | 6896 |
| NODE ID | 4765 |
| NAME | Phomopsin E |
| FORMULA | C37H47ClN6O12 |
| MOLECULAR WEIGHT (Da) | 803.2660 |
| ACCURATE MASS (Da) | 802.2940 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phomopsis |
| ORIGIN SPECIES | leptostromiformis ATCC 26115 |
| InChIKey | YKJILBFISDHBLQ-GSJAERIGSA-N |
| InChI | InChI=1S/C37H47ClN6O12/c1-9-18(5)26(33(51)39-21(36(54)55)16-24(45)46)41-31(49)22-12-11-13-44(22)35(53)30-37(6,10-2)56-23-15-19(14-20(38)29(23)48)28(47)27(43(7)8)34(52)40-25(17(3)4)32(50)42-30/h11-12,14-16,22,25,27-28,30,47-48H,3,9-10,13H2,1-2,4-8H3,(H,39,51)(H,40,52)(H,41,49)(H,42,50)(H,45,46)(H,54,55)/b21-16+,26-18+/t22-,25-,27-,28-,30+,37+/m0/s1 |
| SMILES | CC/C(=C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C@@H]1C=CCN1C(=O)[C@@H]2[C@@](OC3=C(C(=CC(=C3)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C(=C)C)N(C)C)O)Cl)O)(C)CC)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ding W; Liu WQ; Jia Y; Li Y; van der Donk WA; Zhang Q Biosynthetic investigation of phomopsins reveals a widespread pathway for ribosomal natural products in Ascomycetes. Proceedings of the National Academy of Sciences of the United States of America 2016 113 (13) 3521-3526. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.1522907113 | PMID | 26979951 |
