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Concept information

Preferred term

saprolmycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C37H40O14

inchi

  • InChI=1S/C37H40O14/c1-15-21(38)7-8-27(47-15)51-35(4)13-26(40)37(45)29-20(9-10-36(37,44)14-35)31(42)28-19(32(29)43)6-5-18(30(28)41)23-12-24-33(17(3)46-23)50-34-25(49-24)11-22(39)16(2)48-34/h5-6,9-10,15-17,23-25,27,33-34,41,44-45H,7-8,11-14H2,1-4H3/t15?,16?,17-,23-,24-,25?,27?,33-,34?,35-,36-,37-/m0/s1

inchikey

  • WPMNBFJBNRAIET-NXBUQFLTSA-N

mass

  • 708.713

monoisotopicmass

  • 708.24181

smiles

  • O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=C[C@]4([C@]3(O)C(=O)C[C@@](OC5OC(C(=O)CC5)C)(C)C4)O)[C@H]6O[C@H]([C@@H]7OC8OC(C)C(CC8O[C@H]7C6)=O)C

subset

  • 2_STAR

synonym EXACT

  • (3R,4aR,12bS)-9-[(1S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-4a,8,12b-trihydroxy-3-methyl-3-(6-methyl-5-oxooxan-2-yl)oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215513

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