439204
  -OEChem-02210614372D

 20 20  0     1  0  0  0  0  0999 V2000
    4.2208    0.7694    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4118    0.1816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0298    0.1816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8086    1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6330    1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -0.7694    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4607    0.4907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7208   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8031    1.4739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1330   -1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148    0.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    2.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2514    1.8502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852    2.1448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085   -0.6724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6560   -1.3860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3273   -0.8983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1676    1.9755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3852   -2.1448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  6  0  0  0
  2 11  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  1  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
439204

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4YMAAAAAAAAAAAAAAAAAAIAEAAAAAAAAAAAAAAAAAGgAAAAAIAACgFAgACAACgAAGAAAAAAAAAAAAAAAAAAAAAAAAEBEAAAAAAAIFAEACAAcAAAggwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,4R)-2-(hydroxymethyl)tetrahydrofuran-2,3,4-triol

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,4R)-2-(hydroxymethyl)tetrahydrofuran-2,3,4-triol

> <PUBCHEM_IUPAC_NAME>
(3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4R)-2-(hydroxymethyl)oxolane-2,3,4-triol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,4R)-2-methyloltetrahydrofuran-2,3,4-triol

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4+,5u/m1/s1

> <PUBCHEM_CACTVS_XLOGP>
-2.057

> <PUBCHEM_OPENEYE_MF>
C5H10O5

> <PUBCHEM_OPENEYE_MW>
150.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(C(O1)(CO)O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H]([C@@H](C(O1)(CO)O)O)O

> <PUBCHEM_CACTVS_TPSA>
90.15

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
3604

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00310

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.1.1.9
Is a reactant or product of enzyme EC 1.1.1.11
Is a reactant or product of enzyme EC 2.7.1.17
Is a reactant or product of enzyme EC 5.3.1.5
Is a reactant or product of enzyme EC 5.3.1.15

> <PUBCHEM_SUBSTANCE_SYNONYM>
551-84-8
C00310
D-Lyxulose
D-Xylulose
D-threo-Pentulose

> <PUBCHEM_GENERIC_REGISTRY_NAME>
551-84-8

> <PUBCHEM_XREF_EXT_ID>
C00310

> <PUBCHEM_GENBANK_PROTEIN_ID>
230398
230399
230400
230788
230943
231103
231104
231105
231185
231186
231237
231313
231342
349918
349919
349920
349921
349936
349937
349938
349939
349947
349948
349949
349950
442831
442832
442833
442834
443303
443304
443305
443306
443307
443308
443309
443310
443311
443312
443313
443314
443315
443316
443317
443318
443319
443320
443321
443322
443323
443324
443325
443326
443327
443328
443329
443330
443442
443443
443444
443445
443486
443487
443488
443489
443510
443511
443512
443513
443522
443523
443524
443525
443526
443527
443528
443529
443538
443539
443540
443541
443552
443553
443554
443555
443568
443569
443570
443571
443580
443581
443582
443583
493998
493999
576337
576338
576339
576340
576341
576342
576343
576344
576345
576346
576347
576348
576349
576350
576351
576352
576353
576354
576355
1065054
1065055
2914276
2914277
3319049
3319050
3319051
3319052
3319053
3319054
3319055
3319056
3319057
3319058
3891531
3891532
3891533
3891534
4930281
4930282
4930283
4930284
4930285
4930286
4930287
4930288
7766813
9256915
9256916
9955269
9955270
21730246
24159114
24987813
27066365
27066366
28374129
28374130
46015728
46015729
60593774

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00310

> <PUBCHEM_CID_ASSOCIATIONS>
439204  1

> <PUBCHEM_BONDANNOTATIONS>
1  4  3
2  7  6
6  10  5

$$$$