Marvin  04031212022D          

 37 37  0  0  0  0            999 V2000
    7.8471  -19.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2596  -18.3720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5921  -18.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6721  -19.6417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9272  -18.8569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7117  -18.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7122  -17.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4280  -17.3667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1437  -17.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8584  -17.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5727  -17.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875  -17.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0019  -17.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7166  -17.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4310  -17.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1344  -17.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8488  -17.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5635  -17.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2875  -16.5534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5635  -16.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8547  -16.1387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1459  -16.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4430  -16.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7284  -16.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1970  -21.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6094  -20.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4346  -20.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3718  -21.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0847  -20.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9097  -20.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3224  -21.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1475  -21.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4280  -19.0169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1425  -18.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8570  -19.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5715  -18.6044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9272  -18.0319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 12 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 17 18  1  0  0  0  0
 16 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 15 16  1  0  0  0  0
 14 15  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 25 28  1  0  0  0  0
  1 27  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
  4 29  1  6  0  0  0
  8  9  1  0  0  0  0
  7  8  1  0  0  0  0
  6 33  1  0  0  0  0
  6  7  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 37  1  1  0  0  0
 18 20  1  0  0  0  0
M  STY  4   1 SRU   2 SRU   3 SRU   4 SRU
M  SCN  1   1 HT 
M  SAL   1  3   8   9  10
M  SDI   1  4   12.3587  -17.1844   11.9463  -17.8989
M  SDI   1  4   10.3373  -17.8930    9.9292  -17.1760
M  SBL   1  2  30   8
M  SMT   1 w
M  SCN  1   2 HT 
M  SAL   2  3  29  30  31
M  SDI   2  4   10.6621  -20.6582   10.6621  -21.4832
M  SDI   2  4    8.5576  -20.2683    9.2720  -19.8557
M  SBL   2  2  28  27
M  SMT   2 y
M  SCN  1   3 HT 
M  SAL   3  3  25  26  27
M  SDI   3  4    7.2472  -19.8558    7.9617  -20.2682
M  SDI   3  4    5.8572  -21.4832    5.8572  -20.6582
M  SBL   3  2  23  24
M  SMT   3 z
M  SCN  1   4 HT 
M  SAL   4  3  33  34  35
M  SDI   4  4   11.9450  -18.4898   12.3574  -19.2043
M  SDI   4  4    9.9263  -19.2030   10.3398  -18.4891
M  SBL   4  2  31  35
M  SMT   4 x
M  END
> <ID>
CHEBI:53424

> <NAME>
polysorbate 20

> <DEFINITION>
A polymer composed of PEG-ylated sorbitan, where the total number of poly(ethylene glycol) units is 20 (w + x + y + z = 20) and a single terminal is capped by a dodecanoyl group.

> <STAR>
3

> <SYNONYM>
Tween 20; Polyoxyethylene sorbitan monolaurate; Polyoxyethylene (20) sorbitan monolaurate

> <INN>
polysorbatum; Polysorbate 20; polysorbate; Polysorbate; polisorbato

> <FORMULA>
C58H114O26

> <MASS>
1226.75977

> <MONOISOTOPIC_MASS>
1226.760

> <CHARGE>
0

> <BEILSTEIN_REGISTRY_NUMBER>
8973037

> <CAS_REGISTRY_NUMBER>
9005-64-5

> <REAXYS_REGISTRY_NUMBER>
8973037

> <CHEMIDPLUS>
9005-64-5

> <KEGG_COMPOUND_ACCESSION>
C11624

> <KEGG_DRUG_ACCESSION>
D05565

> <WIKIPEDIA_ACCESSION>
Polysorbate_20

$$$$