Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA032984
PROPERTIES
NPAID | NPA032984 |
---|---|
CLUSTER ID | 9517 |
NODE ID | 6371 |
NAME | Sungeidine A |
FORMULA | C30H19NO3S |
MOLECULAR WEIGHT (Da) | 473.5530 |
ACCURATE MASS (Da) | 473.1086 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Micromonospora |
ORIGIN SPECIES | sp. MD118 |
InChIKey | LWKFDGQRSRTLMH-CBGTVWSLSA-N |
InChI | InChI=1S/C30H19NO3S/c1-12-9-21(33)23-15-3-2-4-16-24-14-6-5-13(32)10-18(14)29-26-17(30(34)35-29)7-8-20(27(24)26)31-11-19(23)22(12)28(31)25(15)16/h2-10,19,22-23,28,32H,11H2,1H3/t19-,22-,23-,28+/m0/s1 |
SMILES | CC1=CC(=O)[C@H]2C3=CC=CC4=C3[C@H]3[C@@H]1[C@@H]2CN3C1=C2C4=C3C=CC(O)=CC3=C3SC(=O)C(=C32)C=C1 |
ORIGINAL ISOLATION REFERENCE
CITATION | Low, Zhen Jie; Ma, Guang-Lei; Tran, Hoa Thi; Zou, Yike; Xiong, Juan; Pang, Limei; Nuryyeva, Selbi; Ye, Hong; Hu, Jin-Feng; Houk, K N; Liang, Zhao-Xun Sungeidines from a Non-canonical Enediyne Biosynthetic Pathway. Journal of the American Chemical Society 2020 142 (4) 1673-1679. | ||
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DOI | 10.1021/jacs.9b10086 | PMID | 31922407 |