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Concept information

Preferred term

himalomycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C43H56O16

inchi

  • InChI=1S/C43H56O16/c1-19-27(44)10-13-33(54-19)57-30-12-15-35(56-21(30)3)59-43(5,18-32(47)48)17-23-6-7-25-36(38(23)49)40(51)26-9-8-24(39(50)37(26)41(25)52)31-16-29(46)42(22(4)53-31)58-34-14-11-28(45)20(2)55-34/h6-9,19-22,27-31,33-35,42,44-46,49-50H,10-18H2,1-5H3,(H,47,48)/t19-,20-,21-,22+,27+,28+,29+,30-,31+,33-,34-,35-,42+,43?/m0/s1

inchikey

  • KKNQZECZFJSPQR-YYTUHZOXSA-N

mass

  • 828.905

monoisotopicmass

  • 828.35684

smiles

  • O=C1C2=C(O)C(=CC=C2C(=O)C3=C1C=CC(=C3O)CC(O[C@@H]4O[C@H]([C@@H](O[C@@H]5O[C@H]([C@H](O)CC5)C)CC4)C)(CC(=O)O)C)[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H]([C@H](O)CC7)C)[C@@H](C6)O)C

subset

  • 2_STAR

synonym EXACT

  • 4-[1,5-dihydroxy-6-[(2R,4R,5S,6R)-4-hydroxy-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-9,10-dioxoanthracen-2-yl]-3-[(2S,5S,6S)-5-[(2S,5R,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3-methylbutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219358

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