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Concept information

Preferred term

disciformycin b  

Type

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

Broader concept

charge

  • 0

formula

  • C27H40O10

inchi

  • InChI=1S/C27H40O10/c1-7-15(4)19-11-9-16(5)24(37-27-23(32)22(31)20(13-28)35-27)25(36-21(30)12-14(2)3)18(29)10-8-17(6)26(33)34-19/h7-10,14,17,19-20,22-25,27-28,31-32H,11-13H2,1-6H3/b10-8+,15-7-,16-9+/t17-,19+,20+,22+,23-,24+,25+,27+/m0/s1

inchikey

  • CYOPPYPXPLWQGX-VAQIFFTESA-N

mass

  • 524.607

monoisotopicmass

  • 524.26215

smiles

  • O=C1O[C@@H](/C(=C/C)/C)CC=C([C@@H](O[C@H]2O[C@H](CO)[C@H]([C@@H]2O)O)[C@@H](C(C=C[C@@H]1C)=O)OC(=O)CC(C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,4E,7S,8R,9E,12R)-12-[(Z)-but-2-en-2-yl]-8-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,9-dimethyl-2,6-dioxo-1-oxacyclododeca-4,9-dien-7-yl] 3-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216579

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