Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA023859
PROPERTIES
| NPAID | NPA023859 |
|---|---|
| CLUSTER ID | 542 |
| NODE ID | 484 |
| NAME | Scequinadoline C |
| FORMULA | C28H31N5O4 |
| MOLECULAR WEIGHT (Da) | 501.5870 |
| ACCURATE MASS (Da) | 501.2376 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Scedosporium |
| ORIGIN SPECIES | apiospermum F41-1 |
| InChIKey | RWRQTCRLPXXHPH-RWZIALJFSA-N |
| InChI | InChI=1S/C28H31N5O4/c1-14(2)21-23-29-18-11-7-5-9-16(18)25(35)32(23)20(24(34)30-21)13-28(37)17-10-6-8-12-19(17)33-26(36)22(15(3)4)31-27(28)33/h5-12,14-15,20-22,27,31,37H,13H2,1-4H3,(H,30,34)/t20-,21+,22+,27-,28+/m1/s1 |
| SMILES | CC(C)[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)C[C@]4([C@@H]5N[C@H](C(=O)N5C6=CC=CC=C64)C(C)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Huang, Li-Hong; Xu, Meng-Yang; Li, Hou-Jin; Li, Jin-Qian; Chen, Yan-Xiu; Ma, Wen-Zhe; Li, Yi-Ping; Xu, Jun; Yang, De-Po; Lan, Wen-Jian Amino Acid-Directed Strategy for Inducing the Marine-Derived Fungus Scedosporium apiospermum F41-1 to Maximize Alkaloid Diversity Organic Letters 2017 19 (18) 4888-4891. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.7b02238 | PMID | 28837349 |
