Term: | Phenelfamycin E |
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Accession: | CHEBI:222034
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Synonyms: | exact_synonym: | (2E,4E,6E)-7-[(2S,3S,5R)-5-[(2R,3S,4E,6E)-8-[[(2S)-2-[(2R,3R,4R,6S)-2,4-dihydroxy-5,5-dimethyl-6-[(1E,3Z)-penta-1,3-dienyl]-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[(2R,4R,5S,6R)-5-[(2R,4R,5S,6S)-5-[(2S,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid |
| related_synonym: | Formula=C65H95NO21; InChI=1S/C65H95NO21/c1-13-14-18-29-51-64(7,8)61(72)62(84-53(70)32-43-26-19-17-20-27-43)65(74,87-51)44(63(73)66-31-24-23-25-38(2)58(78-12)39(3)47-33-45(67)46(83-47)28-21-15-16-22-30-52(68)69)37-79-54-35-49(76-10)59(41(5)81-54)86-56-36-50(77-11)60(42(6)82-56)85-55-34-48(75-9)57(71)40(4)80-55/h13-30,39-42,44-51,54-62,67,71-72,74H,31-37H2,1-12H3,(H,66,73)(H,68,69)/b14-13-,16-15+,24-23+,28-21+,29-18+,30-22+,38-25+/t39-,40+,41-,42+,44-,45+,46+,47-,48+,49-,50-,51+,54-,55+,56-,57-,58-,59+,60+,61+,62-,65-/m1/s1; InChIKey=UDVVGDCMWCVRCO-DPXDKDKUSA-N; SMILES=O=C(O)/C=C/C=C/C=C/[C@@H]1O[C@@H]([C@H]([C@H](OC)/C(=C/C=C/CNC(=O)[C@H]([C@]2(O[C@@H](/C=C/C=C\\C)C(C)(C)[C@H]([C@H]2OC(=O)CC3=CC=CC=C3)O)O)CO[C@@H]4O[C@@H]([C@H](O[C@H]5O[C@H]([C@H](O[C@@H]6O[C@H]([C@@H](O)[C@H](C6)OC)C)[C@@H](C5)OC)C)[C@@H](C4)OC)C)/C)C)C[C@@H]1O |
| xref: | Chemspider:78442969 |
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