Term: | Chromomycin A2-1 |
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Accession: | CHEBI:213052
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Synonyms: | exact_synonym: | [(2S,3S,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6S)-6-[[6-[(2S,4R,5R,6R)-5-acetyloxy-4-hydroxy-6-methyloxan-2-yl]oxy-3-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-8,9-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2H-anthracen-2-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]oxy-3-hydroxy-2-methyloxan-4-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-methylpropanoate |
| related_synonym: | Formula=C52H74O23; InChI=1S/C52H74O23/c1-19(2)51(63)75-50-25(8)69-37(18-52(50,10)64)73-33-16-35(66-22(5)43(33)59)72-32-17-36(67-23(6)42(32)58)74-49-29(48(65-11)46(62)41(57)21(4)53)13-27-12-28-14-31(20(3)40(56)38(28)44(60)39(27)45(49)61)71-34-15-30(55)47(24(7)68-34)70-26(9)54/h12,14,19,21-25,29-30,32-37,41-43,47-50,53,55-60,64H,13,15-18H2,1-11H3/t21?,22-,23-,24-,25+,29?,30-,32-,33-,34+,35+,36+,37+,41?,42-,43-,47+,48?,49?,50+,52+/m1/s1; InChIKey=NVSPKVYJPBAIDN-LHJRQPDDSA-N; SMILES=O=C1C2=C(O)C3=C(O)C(=C(O[C@@H]4O[C@@H]([C@H](OC(=O)C)[C@@H](C4)O)C)C=C3C=C2CC(C1O[C@@H]5O[C@@H]([C@@H](O)[C@@H](C5)O[C@@H]6O[C@@H]([C@@H](O)[C@@H](C6)O[C@@H]7O[C@H]([C@H](OC(=O)C(C)C)[C@](C7)(O)C)C)C)C)C(OC)C(=O)C(O)C(O)C)C |
| xref: | Chemspider:63002666 |
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