Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA006700
PROPERTIES
NPAID | NPA006700 |
---|---|
CLUSTER ID | 1166 |
NODE ID | 143 |
NAME | RES-701-4 |
FORMULA | C103H115N23O25 |
MOLECULAR WEIGHT (Da) | 2075.1890 |
ACCURATE MASS (Da) | 2073.8434 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | JHNVFWSVMMAWSD-CNPBOTFBSA-N |
InChI | InChI=1S/C103H115N23O25/c1-53(128)88-101(148)124-80(51-127)102(149)126-33-13-23-81(126)100(147)122-78(44-85(134)109-49-86(135)113-76(42-83(104)132)97(144)118-74(39-59-46-108-68-22-11-9-19-65(59)68)96(143)120-75(41-61-48-106-52-112-61)90(137)111-50-87(136)125-88)99(146)119-73(38-58-45-107-67-21-10-8-18-64(58)67)95(142)116-69(34-54-14-4-2-5-15-54)91(138)114-70(35-55-16-6-3-7-17-55)93(140)121-77(43-84(105)133)98(145)117-71(36-56-25-29-62(129)30-26-56)92(139)115-72(37-57-27-31-63(130)32-28-57)94(141)123-79(103(150)151)40-60-47-110-89-66(60)20-12-24-82(89)131/h2-12,14-22,24-32,45-48,52-53,69-81,88,107-108,110,127-131H,13,23,33-44,49-51H2,1H3,(H2,104,132)(H2,105,133)(H,106,112)(H,109,134)(H,111,137)(H,113,135)(H,114,138)(H,115,139)(H,116,142)(H,117,145)(H,118,144)(H,119,146)(H,120,143)(H,121,140)(H,122,147)(H,123,141)(H,124,148)(H,125,136)(H,150,151)/t53-,69?,70?,71?,72?,73?,74?,75?,76?,77?,78?,79?,80?,81?,88?/m1/s1 |
SMILES | C[C@H](C1C(=O)NC(C(=O)N2CCCC2C(=O)NC(CC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC3=CNC=N3)CC4=CNC5=CC=CC=C54)CC(=O)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC1=CNC2=C1C=CC=C2O)C(=O)O)CO)O |
ORIGINAL ISOLATION REFERENCE
CITATION | OGAWA, TATSUHIRO; OCHIAI, KEIKO; TANAKA, TAKEO; TSUKUDA, Em; CHIBA, SHIGERU; YANO, KEIICHI; YAMASAKI, MOTOO; YOSHIDA, MAYUMI; MATSUDA, YUZURU RES-701-2, -3 and -4, Novel and Selective Endothelin Type B Receptor Antagonists Produced by Streptomyces sp. I. Taxonomy of Producing Strains, Fermentation, Isolation, and Biochemical Properties Journal of Antibiotics 1995 48 (11) 1213-1220. | ||
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DOI | 10.7164/antibiotics.48.1213 | PMID | 8557559 |