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Concept information

Preferred term

9'-deoxy-8',8'-dihydroxyherbicidin b  

Type

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

Broader concept

charge

  • 0

formula

  • C18H23N5O9

inchi

  • InChI=1S/C18H23N5O9/c1-28-12-11-7(31-15(12)23-6-22-10-13(19)20-5-21-14(10)23)3-9-18(27,32-11)17(25,26)4-8(30-9)16(24)29-2/h5-9,11-12,15,25-27H,3-4H2,1-2H3,(H2,19,20,21)/t7-,8+,9-,11+,12-,15-,18-/m1/s1

inchikey

  • AZYCCECPGKXFKD-WZBVYVGFSA-N

mass

  • 453.408

monoisotopicmass

  • 453.14958

smiles

  • O=C(OC)[C@H]1O[C@H]2[C@](O[C@@H]3[C@@H](OC)[C@@H](O[C@@H]3C2)N4C5=NC=NC(=C5N=C4)N)(O)C(C1)(O)O

subset

  • 2_STAR

synonym EXACT

  • methyl (1R,3S,4R,5R,7R,9R,11S)-5-(6-aminopurin-9-yl)-1,13,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208468

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