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Concept information

Preferred term

actinotetraose j  

Type

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

Broader concept

charge

  • 0

formula

  • C55H80O27

inchi

  • InChI=1S/C55H80O27/c1-13-24(8)46(64)70-22-32-34(58)36(60)44(80-52-38(62)42(78-50(68)28(12)17-5)40(30(20-56)72-52)76-48(66)26(10)15-3)54(74-32)82-55-45(37(61)35(59)33(75-55)23-71-47(65)25(9)14-2)81-53-39(63)43(79-51(69)29(18-6)19-7)41(31(21-57)73-53)77-49(67)27(11)16-4/h13-18,30-45,52-63H,19-23H2,1-12H3/b24-13+,25-14+,26-15+,27-16+,28-17+,29-18+/t30-,31-,32-,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-,52+,53+,54-,55-/m1/s1

inchikey

  • AMTFIMPMNYTAKH-FSHAHHAUSA-N

mass

  • 1173.218

monoisotopicmass

  • 1172.48870

smiles

  • O=C(O[C@H]1[C@H](OC(=O)/C(=C/C)/C)[C@H](O[C@H]([C@@H]1O)O[C@H]2[C@H](O[C@H](COC(=O)/C(=C/C)/C)[C@H]([C@@H]2O)O)O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O[C@@H]4O[C@@H]([C@@H](OC(=O)/C(=C/C)/C)[C@@H]([C@H]4O)OC(=O)/C(=C/C)/C)CO)O)COC(=O)/C(=C/C)/C)CO)/C(=C/C)/CC

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-3-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(E)-2-methylbut-2-enoyl]oxyoxan-4-yl] (E)-2-ethylbut-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201212

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