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Concept information

Preferred term

tianchimycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C28H44O8

inchi

  • InChI=1S/C28H44O8/c1-16-10-8-9-11-23(30)18(3)14-19(4)25(17(2)12-13-24(31)35-21(16)6)36-27-26(32)28(33,22(7)29)15-20(5)34-27/h8-13,16-22,25-27,29,32-33H,14-15H2,1-7H3/b10-8+,11-9+,13-12+/t16-,17-,18?,19-,20+,21+,22?,25+,26-,27?,28-/m0/s1

inchikey

  • ICULWXFZOQBDSR-RTUJLLOQSA-N

mass

  • 508.652

monoisotopicmass

  • 508.30362

smiles

  • O=C1O[C@@H]([C@H](C=CC=CC(=O)C(C[C@@H]([C@@H]([C@H](C=C1)C)OC2O[C@@H](C[C@]([C@H]2O)(O)C(O)C)C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3E,5S,6S,7S,11E,13E,15S,16R)-6-[(3R,4S,6R)-3,4-dihydroxy-4-(1-hydroxyethyl)-6-methyloxan-2-yl]oxy-5,7,9,15,16-pentamethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198193

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