Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA021806
PROPERTIES
NPAID | NPA021806 |
---|---|
CLUSTER ID | 1025 |
NODE ID | 883 |
NAME | Quinomycin H1 |
FORMULA | C52H65N11O13S2 |
MOLECULAR WEIGHT (Da) | 1116.2900 |
ACCURATE MASS (Da) | 1115.4205 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. RAL404 |
InChIKey | HMUHNHNUVFKYAB-IGYHIOTESA-N |
InChI | InChI=1S/C52H65N11O13S2/c1-25(2)39-50(73)76-23-35(59-45(68)38-37(64)20-29-16-12-13-17-30(29)57-38)44(67)55-28(6)47(70)63(10)41-49(72)62(9)40(26(3)4)51(74)75-22-34(58-42(65)33-21-53-31-18-14-15-19-32(31)56-33)43(66)54-27(5)46(69)60(7)36(48(71)61(39)8)24-78-52(41)77-11/h12-21,25-28,34-36,39-41,52,64H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,65)(H,59,68)/t27-,28-,34+,35+,36-,39-,40-,41+,52?/m0/s1 |
SMILES | C[C@H]1C(=O)N([C@H]2CSC([C@@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC)C |
ORIGINAL ISOLATION REFERENCE
CITATION | Hayakawa, Yoichi; Sone, Risako; Aoki, Haruna; Kimata, Shoko Quinomycins H1 and H2, new cytotoxic antibiotics from Streptomyces sp. RAL404 Journal of Antibiotics 2018 71 (10) 898-901. | ||
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DOI | 10.1038/s41429-018-0083-6 | PMID | 30018424 |