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Concept information

Preferred term

grecocycline a  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C37H47NO13

inchi

  • InChI=1S/C37H47NO13/c1-16-13-26(40)36(45)34(44,14-16)27(50-29-11-7-22(38)17(2)47-29)15-35-33(43)30-21(32(42)37(35,36)51-35)6-5-20(31(30)41)25-10-9-24(19(4)46-25)49-28-12-8-23(39)18(3)48-28/h5-6,13,17-19,22-25,27-29,39,41,44-45H,7-12,14-15,38H2,1-4H3/t17-,18-,19-,22-,23-,24-,25+,27+,28-,29-,34+,35+,36+,37-/m0/s1

inchikey

  • GOUBYAGYZSMNTI-JBDBQMHHSA-N

mass

  • 713.777

monoisotopicmass

  • 713.30474

smiles

  • O=C1C=C(C[C@@]2([C@@]1(O)[C@@]34O[C@@]3(C(=O)C5=C(C4=O)C=CC(=C5O)[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@H]([C@@H](O)CC7)C)CC6)C)C[C@H]2O[C@@H]8O[C@H]([C@@H](N)CC8)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,7R,8R,10S)-8-[(2S,5S,6S)-5-amino-6-methyloxan-2-yl]oxy-2,7,13-trihydroxy-14-[(2R,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-4,12(17),13,15-tetraene-3,11,18-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227745

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