ChEBI
  Marvin  09090516182D          

 25 27  0  0  1  0            999 V2000
    1.9348   -2.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493   -3.4197    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3638   -3.0072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3638   -2.1822    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6493   -4.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0783   -3.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348   -3.0072    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2204   -3.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0783   -1.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7927   -2.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072   -0.9447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072   -1.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217   -2.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217   -3.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9361   -3.4197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9361   -4.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6506   -5.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217   -4.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2217   -5.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9521   -5.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4371   -4.4022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370   -5.7371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9361   -5.8947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6506   -4.6572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6493   -1.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 25  1  1  0  0  0  0
 25  4  1  0  0  0  0
  1  7  1  0  0  0  0
  7  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  1  0  0  0
  2  5  1  1  0  0  0
  3  6  1  6  0  0  0
  7  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 16 24  2  0  0  0  0
 19 23  1  0  0  0  0
 23 17  2  0  0  0  0
 17 24  1  0  0  0  0
 21 18  1  0  0  0  0
 19 18  2  0  0  0  0
 22 19  1  0  0  0  0
 21 20  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <ID>
CHEBI:17438

> <NAME>
O-beta-D-xylosylzeatin

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12706; CHEBI:7709; CHEBI:21947

> <SYNONYM>
O-beta-D-Xyloxylzeatin; O-beta-D-xylosylzeatin; O-beta-D-Xylosylzeatin; O-beta-D-xylosylzeatin

> <IUPAC_NAME>
2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-yl beta-D-xylopyranoside

> <FORMULA>
C15H21N5O5

> <MASS>
351.35794

> <MONOISOTOPIC_MASS>
351.15427

> <CHARGE>
0

> <SMILES>
C\C(CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)=C\CNc1ncnc2[nH]cnc12

> <INCHI>
InChI=1S/C15H21N5O5/c1-8(4-24-15-12(23)11(22)9(21)5-25-15)2-3-16-13-10-14(18-6-17-10)20-7-19-13/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H2,16,17,18,19,20)/b8-2-/t9-,11+,12-,15-/m1/s1

> <INCHIKEY>
BTXBYCHDVZGXMF-IEDJDMPFSA-N

> <KEGG_COMPOUND_ACCESSION>
C03300

$$$$