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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:00:37 UTC

Update Date

2022-03-07 02:53:39 UTC

HMDB ID

HMDB0033296

Secondary Accession Numbers

HMDB33296

Metabolite Identification

Common Name

Kuwanon Y

Description

Kuwanon Y belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. Kuwanon Y has been detected, but not quantified in, fruits. This could make kuwanon y a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Kuwanon Y.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 05061307022D          

 43 47  0  0  0  0            999 V2000
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  8  6  2  0  0  0  0
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 41 30  1  0  0  0  0
 42 31  1  0  0  0  0
 43 34  2  0  0  0  0
M  END

HMDB0033296
     RDKit          3D
Kuwanon Y
 73 77  0  0  0  0  0  0  0  0999 V2000
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 43 73  1  0
M  END


  Mrv0541 05061307022D          

 43 47  0  0  0  0            999 V2000
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   -0.1265   -8.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8545   -1.8089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4323  -11.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3544   -9.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256   -4.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256  -11.7089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2305   -7.3946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5690   -7.9964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814   -7.4902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1284   -7.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
  5  4  2  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
 17  1  1  0  0  0  0
 17 10  1  0  0  0  0
 17 11  2  0  0  0  0
 18  2  1  0  0  0  0
 18 12  2  0  0  0  0
 18 13  1  0  0  0  0
 19  3  1  0  0  0  0
 19  4  1  0  0  0  0
 20  5  1  0  0  0  0
 20 14  2  0  0  0  0
 21  6  1  0  0  0  0
 21 15  2  0  0  0  0
 22  7  1  0  0  0  0
 22 16  2  0  0  0  0
 23  8  1  0  0  0  0
 24  9  1  0  0  0  0
 25 10  1  0  0  0  0
 25 23  1  0  0  0  0
 26 11  1  0  0  0  0
 27 14  1  0  0  0  0
 27 19  2  0  0  0  0
 28 15  1  0  0  0  0
 28 23  2  0  0  0  0
 29 16  1  0  0  0  0
 29 24  2  0  0  0  0
 30 12  1  0  0  0  0
 31 13  2  0  0  0  0
 32 25  1  0  0  0  0
 32 26  1  0  0  0  0
 33 26  1  0  0  0  0
 33 30  2  0  0  0  0
 33 31  1  0  0  0  0
 34 24  1  0  0  0  0
 34 32  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37 22  1  0  0  0  0
 38 27  1  0  0  0  0
 39 28  1  0  0  0  0
 40 29  1  0  0  0  0
 41 30  1  0  0  0  0
 42 31  1  0  0  0  0
 43 34  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033296

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CC(C(C(C1)C1=C(O)C=C(O)C=C1)C(=O)C1=C(O)C=C(O)C=C1)C1=C(O)C=C(\C=C\C2=C(O)C=C(O)C=C2)C=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C34H30O9/c1-17-10-25(23-8-6-21(36)15-28(23)39)32(34(43)24-9-7-22(37)16-29(24)40)26(11-17)33-30(41)12-18(13-31(33)42)2-3-19-4-5-20(35)14-27(19)38/h2-9,11-16,25-26,32,35-42H,10H2,1H3/b3-2+

> <INCHI_KEY>
YYUHPJKWIHNMSV-NSCUHMNNSA-N

> <FORMULA>
C34H30O9

> <MOLECULAR_WEIGHT>
582.5966

> <EXACT_MASS>
582.188982558

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
60.90484612195823

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol

> <ALOGPS_LOGP>
4.33

> <JCHEM_LOGP>
6.9287997673333335

> <ALOGPS_LOGS>
-5.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.626197315015887

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.795261360822593

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9107581023714753

> <JCHEM_POLAR_SURFACE_AREA>
178.91

> <JCHEM_REFRACTIVITY>
163.6508000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.18e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033296
     RDKit          3D
Kuwanon Y
 73 77  0  0  0  0  0  0  0  0999 V2000
   -2.0170   -4.4390    1.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8946   -2.9842    1.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9525   -2.5294    0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7492   -1.1325    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6748   -0.7164    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357   -1.3872    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236   -2.2813    1.9957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -1.1118    1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4943   -0.1985    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.0162    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6490    0.9056   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1008    1.0136   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7921    0.2334    0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1812    0.3706    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8673    1.2968    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2698    1.4270    0.3469 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6820    0.4445   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3099    0.1792   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743    0.8906   -1.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8010   -0.1447    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468    0.7258   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1284    0.4134   -1.9848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9047    2.0393   -0.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    2.7109   -1.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1294    3.8982   -1.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3049    4.4589   -0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9978    5.6708   -0.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7868    3.8307    0.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0957    2.6280    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6057    2.0947    1.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0363   -0.8248    0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0357   -1.3636    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9219   -1.7860   -1.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0249   -2.2511   -2.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2766   -2.3016   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4011   -2.7617   -2.1679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4247   -1.8812   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3384   -1.4384    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5591   -1.0380    1.8762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770   -1.9489    1.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0735   -4.9908    0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1106   -4.8682    1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9302   -4.6588    2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365   -3.2806   -0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693   -1.1615   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140   -2.7090    2.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389   -1.6365    1.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4908   -0.6486    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1162    1.5951   -0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036   -0.5144    1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6737   -0.2378    1.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5190    2.1069    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7119    2.7966   -1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2589    2.7860   -2.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807    1.1569   -1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8892    1.5423   -2.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3762    0.4728    1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3240    2.2792   -2.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5241    4.3682   -2.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5651    6.5610   -0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9471    4.2890    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334    2.4981    2.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387   -0.0953    1.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9908   -1.8273   -1.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8655   -2.5770   -3.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6307   -3.7572   -2.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4254   -1.9297    0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4963   -1.0030    2.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6613   -2.4378    2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2366   -1.6282    2.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
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  9 10  1  0
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 14 15  2  0
 15 16  1  0
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 17 18  2  0
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  9 20  1  0
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  4 23  1  0
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 34 35  1  0
 35 36  2  0
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 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 42  1  0
 34 43  1  0
 43  2  1  0
 21  5  1  0
 32 26  1  0
 41 35  1  0
 18 12  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  4 48  1  0
  7 49  1  0
  8 50  1  0
 10 51  1  0
 11 52  1  0
 13 53  1  0
 14 54  1  0
 16 55  1  0
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 22 59  1  0
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 27 61  1  0
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 36 67  1  0
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 39 69  1  0
 40 70  1  0
 42 71  1  0
 43 72  1  0
 43 73  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.795 -19.547   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.128 -10.307   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.462  -9.537   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.795  -7.227   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.795  -5.687   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.207 -19.547   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.725 -18.197   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.873 -18.777   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.218 -17.877   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.128 -19.547   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.462 -17.237   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.462 -12.617   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.794 -12.617   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.128  -5.687   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.873 -21.857   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -4.279 -15.588   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.462 -18.777   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.128 -11.847   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.462  -7.997   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.462  -4.917   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.207 -21.087   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.755 -17.053   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.539 -19.547   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.742 -16.412   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.794 -18.777   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.128 -16.467   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.128  -7.227   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.539 -21.087   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.773 -15.268   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       3.462 -14.157   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.794 -14.157   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       0.794 -17.237   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       2.128 -14.927   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.236 -16.092   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       3.462  -3.377   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -4.540 -21.857   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -6.262 -17.373   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       0.794  -7.997   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       0.794 -21.857   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.297 -13.803   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       4.795 -14.927   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -0.712 -13.982   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       0.240 -14.628   0.000  0.00  0.00           O+0
CONECT    1   17                                                            
CONECT    2    3   18                                                       
CONECT    3    2   19                                                       
CONECT    4    5   19                                                       
CONECT    5    4   20                                                       
CONECT    6    8   21                                                       
CONECT    7    9   22                                                       
CONECT    8    6   23                                                       
CONECT    9    7   24                                                       
CONECT   10   17   25                                                       
CONECT   11   17   26                                                       
CONECT   12   18   30                                                       
CONECT   13   18   31                                                       
CONECT   14   20   27                                                       
CONECT   15   21   28                                                       
CONECT   16   22   29                                                       
CONECT   17    1   10   11                                                  
CONECT   18    2   12   13                                                  
CONECT   19    3    4   27                                                  
CONECT   20    5   14   35                                                  
CONECT   21    6   15   36                                                  
CONECT   22    7   16   37                                                  
CONECT   23    8   25   28                                                  
CONECT   24    9   29   34                                                  
CONECT   25   10   23   32                                                  
CONECT   26   11   32   33                                                  
CONECT   27   14   19   38                                                  
CONECT   28   15   23   39                                                  
CONECT   29   16   24   40                                                  
CONECT   30   12   33   41                                                  
CONECT   31   13   33   42                                                  
CONECT   32   25   26   34                                                  
CONECT   33   26   30   31                                                  
CONECT   34   24   32   43                                                  
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   27                                                            
CONECT   39   28                                                            
CONECT   40   29                                                            
CONECT   41   30                                                            
CONECT   42   31                                                            
CONECT   43   34                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0033296
HETATM    1  C1  UNL     1      -2.017  -4.439   1.418  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.895  -2.984   1.190  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.952  -2.529   0.334  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.749  -1.132   0.029  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.675  -0.716   0.188  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.536  -1.387   1.090  1.00  0.00           C  
HETATM    7  O1  UNL     1       1.124  -2.281   1.996  1.00  0.00           O  
HETATM    8  C7  UNL     1       2.908  -1.112   1.076  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.494  -0.198   0.214  1.00  0.00           C  
HETATM   10  C9  UNL     1       4.941   0.016   0.295  1.00  0.00           C  
HETATM   11  C10 UNL     1       5.649   0.906  -0.328  1.00  0.00           C  
HETATM   12  C11 UNL     1       7.101   1.014  -0.147  1.00  0.00           C  
HETATM   13  C12 UNL     1       7.792   0.233   0.748  1.00  0.00           C  
HETATM   14  C13 UNL     1       9.181   0.371   0.913  1.00  0.00           C  
HETATM   15  C14 UNL     1       9.867   1.297   0.171  1.00  0.00           C  
HETATM   16  O2  UNL     1      11.270   1.427   0.347  1.00  0.00           O  
HETATM   17  C15 UNL     1       9.179   2.072  -0.720  1.00  0.00           C  
HETATM   18  C16 UNL     1       7.788   1.935  -0.889  1.00  0.00           C  
HETATM   19  O3  UNL     1       7.223   2.775  -1.829  1.00  0.00           O  
HETATM   20  C17 UNL     1       2.682   0.445  -0.649  1.00  0.00           C  
HETATM   21  C18 UNL     1       1.310   0.179  -0.645  1.00  0.00           C  
HETATM   22  O4  UNL     1       0.574   0.891  -1.575  1.00  0.00           O  
HETATM   23  C19 UNL     1      -1.801  -0.145   0.317  1.00  0.00           C  
HETATM   24  C20 UNL     1      -2.247   0.726  -0.743  1.00  0.00           C  
HETATM   25  O5  UNL     1      -2.128   0.413  -1.985  1.00  0.00           O  
HETATM   26  C21 UNL     1      -2.905   2.039  -0.583  1.00  0.00           C  
HETATM   27  C22 UNL     1      -3.445   2.711  -1.695  1.00  0.00           C  
HETATM   28  C23 UNL     1      -4.129   3.898  -1.543  1.00  0.00           C  
HETATM   29  C24 UNL     1      -4.305   4.459  -0.320  1.00  0.00           C  
HETATM   30  O6  UNL     1      -4.998   5.671  -0.113  1.00  0.00           O  
HETATM   31  C25 UNL     1      -3.787   3.831   0.799  1.00  0.00           C  
HETATM   32  C26 UNL     1      -3.096   2.628   0.612  1.00  0.00           C  
HETATM   33  O7  UNL     1      -2.606   2.095   1.784  1.00  0.00           O  
HETATM   34  C27 UNL     1      -3.036  -0.825   0.932  1.00  0.00           C  
HETATM   35  C28 UNL     1      -4.036  -1.364   0.015  1.00  0.00           C  
HETATM   36  C29 UNL     1      -3.922  -1.786  -1.262  1.00  0.00           C  
HETATM   37  C30 UNL     1      -5.025  -2.251  -2.001  1.00  0.00           C  
HETATM   38  C31 UNL     1      -6.277  -2.302  -1.455  1.00  0.00           C  
HETATM   39  O8  UNL     1      -7.401  -2.762  -2.168  1.00  0.00           O  
HETATM   40  C32 UNL     1      -6.425  -1.881  -0.147  1.00  0.00           C  
HETATM   41  C33 UNL     1      -5.338  -1.438   0.542  1.00  0.00           C  
HETATM   42  O9  UNL     1      -5.559  -1.038   1.876  1.00  0.00           O  
HETATM   43  C34 UNL     1      -2.677  -1.949   1.874  1.00  0.00           C  
HETATM   44  H1  UNL     1      -2.074  -4.991   0.470  1.00  0.00           H  
HETATM   45  H2  UNL     1      -1.111  -4.868   1.942  1.00  0.00           H  
HETATM   46  H3  UNL     1      -2.930  -4.659   2.008  1.00  0.00           H  
HETATM   47  H4  UNL     1      -0.336  -3.281  -0.134  1.00  0.00           H  
HETATM   48  H5  UNL     1      -0.769  -1.161  -1.188  1.00  0.00           H  
HETATM   49  H6  UNL     1       0.414  -2.709   2.380  1.00  0.00           H  
HETATM   50  H7  UNL     1       3.539  -1.637   1.797  1.00  0.00           H  
HETATM   51  H8  UNL     1       5.491  -0.649   0.958  1.00  0.00           H  
HETATM   52  H9  UNL     1       5.116   1.595  -0.962  1.00  0.00           H  
HETATM   53  H10 UNL     1       7.304  -0.514   1.363  1.00  0.00           H  
HETATM   54  H11 UNL     1       9.674  -0.238   1.625  1.00  0.00           H  
HETATM   55  H12 UNL     1      11.519   2.107   1.077  1.00  0.00           H  
HETATM   56  H13 UNL     1       9.712   2.797  -1.304  1.00  0.00           H  
HETATM   57  H14 UNL     1       6.259   2.786  -2.070  1.00  0.00           H  
HETATM   58  H15 UNL     1       3.081   1.157  -1.363  1.00  0.00           H  
HETATM   59  H16 UNL     1       0.889   1.542  -2.251  1.00  0.00           H  
HETATM   60  H17 UNL     1      -1.376   0.473   1.148  1.00  0.00           H  
HETATM   61  H18 UNL     1      -3.324   2.279  -2.671  1.00  0.00           H  
HETATM   62  H19 UNL     1      -4.524   4.368  -2.421  1.00  0.00           H  
HETATM   63  H20 UNL     1      -4.565   6.561  -0.120  1.00  0.00           H  
HETATM   64  H21 UNL     1      -3.947   4.289   1.757  1.00  0.00           H  
HETATM   65  H22 UNL     1      -2.733   2.498   2.683  1.00  0.00           H  
HETATM   66  H23 UNL     1      -3.539  -0.095   1.560  1.00  0.00           H  
HETATM   67  H24 UNL     1      -2.991  -1.827  -1.746  1.00  0.00           H  
HETATM   68  H25 UNL     1      -4.865  -2.577  -3.023  1.00  0.00           H  
HETATM   69  H26 UNL     1      -7.631  -3.757  -2.113  1.00  0.00           H  
HETATM   70  H27 UNL     1      -7.425  -1.930   0.258  1.00  0.00           H  
HETATM   71  H28 UNL     1      -6.496  -1.003   2.251  1.00  0.00           H  
HETATM   72  H29 UNL     1      -3.661  -2.438   2.149  1.00  0.00           H  
HETATM   73  H30 UNL     1      -2.237  -1.628   2.822  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3    3   43
CONECT    3    4   47
CONECT    4    5   23   48
CONECT    5    6    6   21
CONECT    6    7    8
CONECT    7   49
CONECT    8    9    9   50
CONECT    9   10   20
CONECT   10   11   11   51
CONECT   11   12   52
CONECT   12   13   13   18
CONECT   13   14   53
CONECT   14   15   15   54
CONECT   15   16   17
CONECT   16   55
CONECT   17   18   18   56
CONECT   18   19
CONECT   19   57
CONECT   20   21   21   58
CONECT   21   22
CONECT   22   59
CONECT   23   24   34   60
CONECT   24   25   25   26
CONECT   26   27   27   32
CONECT   27   28   61
CONECT   28   29   29   62
CONECT   29   30   31
CONECT   30   63
CONECT   31   32   32   64
CONECT   32   33
CONECT   33   65
CONECT   34   35   43   66
CONECT   35   36   36   41
CONECT   36   37   67
CONECT   37   38   38   68
CONECT   38   39   40
CONECT   39   69
CONECT   40   41   41   70
CONECT   41   42
CONECT   42   71
CONECT   43   72   73
END

HMDB0033296
     RDKit          3D
Kuwanon Y
 73 77  0  0  0  0  0  0  0  0999 V2000
   -2.0170   -4.4390    1.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8946   -2.9842    1.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9525   -2.5294    0.3339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7492   -1.1325    0.0287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6748   -0.7164    0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5357   -1.3872    1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1236   -2.2813    1.9957 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -1.1118    1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4943   -0.1985    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9414    0.0162    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6490    0.9056   -0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1008    1.0136   -0.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7921    0.2334    0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1812    0.3706    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8673    1.2968    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2698    1.4270    0.3469 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1789    2.0718   -0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7883    1.9352   -0.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2226    2.7751   -1.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    0.4445   -0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3099    0.1792   -0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5743    0.8906   -1.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8010   -0.1447    0.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2468    0.7258   -0.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1284    0.4134   -1.9848 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9047    2.0393   -0.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    2.7109   -1.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1294    3.8982   -1.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3049    4.4589   -0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9978    5.6708   -0.1129 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7868    3.8307    0.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0957    2.6280    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6057    2.0947    1.7844 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0363   -0.8248    0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0357   -1.3636    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9219   -1.7860   -1.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0249   -2.2511   -2.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2766   -2.3016   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4011   -2.7617   -2.1679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4247   -1.8812   -0.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3384   -1.4384    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5591   -1.0380    1.8762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6770   -1.9489    1.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0735   -4.9908    0.4698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1106   -4.8682    1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9302   -4.6588    2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365   -3.2806   -0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7693   -1.1615   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4140   -2.7090    2.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389   -1.6365    1.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4908   -0.6486    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1162    1.5951   -0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036   -0.5144    1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6737   -0.2378    1.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5190    2.1069    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7119    2.7966   -1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2589    2.7860   -2.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807    1.1569   -1.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8892    1.5423   -2.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3762    0.4728    1.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3240    2.2792   -2.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5241    4.3682   -2.4209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5651    6.5610   -0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9471    4.2890    1.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334    2.4981    2.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5387   -0.0953    1.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9908   -1.8273   -1.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8655   -2.5770   -3.0231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6307   -3.7572   -2.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4254   -1.9297    0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4963   -1.0030    2.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6613   -2.4378    2.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2366   -1.6282    2.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
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 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
  9 20  1  0
 20 21  2  0
 21 22  1  0
  4 23  1  0
 23 24  1  0
 24 25  2  0
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 26 27  2  0
 27 28  1  0
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 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 23 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  2  0
 41 42  1  0
 34 43  1  0
 43  2  1  0
 21  5  1  0
 32 26  1  0
 41 35  1  0
 18 12  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  4 48  1  0
  7 49  1  0
  8 50  1  0
 10 51  1  0
 11 52  1  0
 13 53  1  0
 14 54  1  0
 16 55  1  0
 17 56  1  0
 19 57  1  0
 20 58  1  0
 22 59  1  0
 23 60  1  0
 27 61  1  0
 28 62  1  0
 30 63  1  0
 31 64  1  0
 33 65  1  0
 34 66  1  0
 36 67  1  0
 37 68  1  0
 39 69  1  0
 40 70  1  0
 42 71  1  0
 43 72  1  0
 43 73  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Kuwanon y	MeSH

Chemical Formula

C₃₄H₃₀O₉

Average Molecular Weight

582.5966

Monoisotopic Molecular Weight

582.188982558

IUPAC Name

2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol

Traditional Name

2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol

CAS Registry Number

105016-28-2

SMILES

CC1=CC(C(C(C1)C1=C(O)C=C(O)C=C1)C(=O)C1=C(O)C=C(O)C=C1)C1=C(O)C=C(\C=C\C2=C(O)C=C(O)C=C2)C=C1O

InChI Identifier

InChI=1S/C34H30O9/c1-17-10-25(23-8-6-21(36)15-28(23)39)32(34(43)24-9-7-22(37)16-29(24)40)26(11-17)33-30(41)12-18(13-31(33)42)2-3-19-4-5-20(35)14-27(19)38/h2-9,11-16,25-26,32,35-42H,10H2,1H3/b3-2+

InChI Key

YYUHPJKWIHNMSV-NSCUHMNNSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Sub Class

Linear diarylheptanoids

Direct Parent

Linear diarylheptanoids

Alternative Parents

Substituents

Linear 1,7-diphenylheptane skeleton
Stilbene
Alkyl-phenylketone
Phenylketone
Benzoyl
Resorcinol
Aryl alkyl ketone
Aryl ketone
Styrene
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Ketone
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0033296)

Cellular substructure

Membrane (HMDB: HMDB0033296)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033296)

Source

Exogenous

Food

Food (HMDB: HMDB0033296)

Fruit

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0033296)

Not Available

Nutrient (HMDB: HMDB0033296)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.00082 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.0042 g/L	ALOGPS
logP	4.33	ALOGPS
logP	6.93	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	7.8	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	178.91 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	163.65 m³·mol⁻¹	ChemAxon
Polarizability	60.9 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	225.801	30932474
DeepCCS	[M-H]-	223.976	30932474
DeepCCS	[M-2H]-	257.218	30932474
DeepCCS	[M+Na]+	231.417	30932474
AllCCS	[M+H]+	244.5	32859911
AllCCS	[M+H-H2O]+	242.8	32859911
AllCCS	[M+NH4]+	245.9	32859911
AllCCS	[M+Na]+	246.4	32859911
AllCCS	[M-H]-	225.2	32859911
AllCCS	[M+Na-2H]-	226.6	32859911
AllCCS	[M+HCOO]-	228.3	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kuwanon Y,1TMS,isomer #1	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5793.5	Semi standard non polar	33892256
Kuwanon Y,1TMS,isomer #2	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5848.2	Semi standard non polar	33892256
Kuwanon Y,1TMS,isomer #3	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5768.3	Semi standard non polar	33892256
Kuwanon Y,1TMS,isomer #4	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5845.4	Semi standard non polar	33892256
Kuwanon Y,1TMS,isomer #5	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5809.3	Semi standard non polar	33892256
Kuwanon Y,1TMS,isomer #6	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5800.0	Semi standard non polar	33892256
Kuwanon Y,1TMS,isomer #7	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5850.0	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #1	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5774.8	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #10	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5817.1	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #11	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5779.8	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #12	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5761.0	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #13	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5783.9	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #14	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5762.7	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #15	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5772.8	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #16	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5799.8	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #17	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5820.4	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #18	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5802.5	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #19	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5834.7	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #2	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5788.8	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #20	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5810.0	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #21	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5795.0	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #22	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5814.3	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #3	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5769.4	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #4	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5780.9	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #5	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5742.9	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #6	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5799.0	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #7	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5808.7	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #8	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5824.4	Semi standard non polar	33892256
Kuwanon Y,2TMS,isomer #9	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5807.7	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #1	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5783.6	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #10	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5701.5	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #11	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5681.2	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #12	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5722.6	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #13	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5706.0	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #14	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5709.7	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #15	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5687.3	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #16	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5728.9	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #17	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5793.2	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #18	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5712.6	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #19	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5724.0	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #2	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5701.0	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #20	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5699.5	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #21	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5739.8	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #22	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5712.5	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #23	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5694.8	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #24	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5735.5	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #25	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5698.4	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #26	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5739.9	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #27	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5725.3	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #28	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5810.1	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #29	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5753.0	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #3	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5713.4	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #30	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5762.0	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #31	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5743.4	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #32	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5754.3	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #33	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5745.7	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #34	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5746.7	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #35	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5790.6	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #36	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5715.2	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #37	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5725.5	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #38	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5711.7	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #39	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5807.0	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #4	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5688.7	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #40	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5821.0	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #41	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5740.0	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #5	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5723.9	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #6	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5714.1	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #7	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5692.5	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #8	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5676.5	Semi standard non polar	33892256
Kuwanon Y,3TMS,isomer #9	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5717.5	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #1	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5541.2	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #10	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5450.8	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #11	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5558.7	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #12	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5465.4	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #13	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5537.6	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #14	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5448.1	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #15	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5547.6	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #16	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5436.5	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #17	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5523.3	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #18	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5450.2	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #19	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5520.7	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #2	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5553.8	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #20	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5452.1	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #21	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5526.9	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #22	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5519.8	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #23	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5439.8	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #24	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5530.8	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #25	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5523.3	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #26	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5568.1	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #27	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5574.7	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #28	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5561.6	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #29	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5659.2	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #3	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5532.6	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #30	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5481.0	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #31	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5478.4	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #32	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5559.7	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #33	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5473.5	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #34	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5573.6	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #35	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5551.3	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #36	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5469.4	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #37	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5544.1	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #38	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5545.4	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #39	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O[Si](C)(C)C)C=C2O)C1	5540.6	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #4	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5640.0	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #40	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5680.8	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #41	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5683.9	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #42	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5678.9	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #43	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5593.1	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #44	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5584.1	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #45	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5587.8	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #46	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O)C1	5564.9	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #47	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5581.2	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #48	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5581.5	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #49	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	5487.4	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #5	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5551.9	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #50	CC1=CC(C2=C(O[Si](C)(C)C)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	5596.1	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #6	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5462.2	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #7	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5444.3	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #8	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C)C1	5541.9	Semi standard non polar	33892256
Kuwanon Y,4TMS,isomer #9	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C)C=C3O)C=C2O[Si](C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C)C=C2O[Si](C)(C)C)C1	5458.8	Semi standard non polar	33892256
Kuwanon Y,1TBDMS,isomer #1	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C1	6102.5	Semi standard non polar	33892256
Kuwanon Y,1TBDMS,isomer #2	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C1	6134.4	Semi standard non polar	33892256
Kuwanon Y,1TBDMS,isomer #3	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C(C2=CC=C(O)C=C2O)C1	6080.3	Semi standard non polar	33892256
Kuwanon Y,1TBDMS,isomer #4	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	6130.5	Semi standard non polar	33892256
Kuwanon Y,1TBDMS,isomer #5	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C(C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	6120.5	Semi standard non polar	33892256
Kuwanon Y,1TBDMS,isomer #6	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	6113.1	Semi standard non polar	33892256
Kuwanon Y,1TBDMS,isomer #7	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	6135.3	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #1	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C(C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C1	6362.6	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #10	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C1	6392.1	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #11	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C1	6370.3	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #12	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C(C)(C)C)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C(C2=CC=C(O)C=C2O)C1	6364.9	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #13	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C(C2=CC=C(O)C=C2O)C1	6381.2	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #14	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C(C2=CC=C(O)C=C2O)C1	6373.6	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #15	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O[Si](C)(C)C(C)(C)C)C(C2=CC=C(O)C=C2O)C1	6364.9	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #16	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C(C)(C)C)C(C(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	6390.4	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #17	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	6401.7	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #18	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O)C1	6391.2	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #19	CC1=CC(C2=C(O[Si](C)(C)C(C)(C)C)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C(C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	6425.8	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #2	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C1	6374.2	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #20	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2O[Si](C)(C)C(C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	6398.6	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #21	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2O[Si](C)(C)C(C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	6394.4	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #22	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O)C1	6395.3	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #3	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C1	6365.7	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #4	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C(C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C1	6366.2	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #5	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C(C2=CC=C(O)C=C2O[Si](C)(C)C(C)(C)C)C1	6342.8	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #6	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O[Si](C)(C)C(C)(C)C)C1	6366.9	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #7	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O)C=C2O[Si](C)(C)C(C)(C)C)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C1	6390.3	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #8	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3O)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C1	6400.6	Semi standard non polar	33892256
Kuwanon Y,2TBDMS,isomer #9	CC1=CC(C2=C(O)C=C(/C=C/C3=CC=C(O)C=C3O[Si](C)(C)C(C)(C)C)C=C2O)C(C(=O)C2=CC=C(O)C=C2O)C(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2O)C1	6391.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (Non-derivatized) - 70eV, Positive	splash10-090a-5967420000-2ad6d3ff4bc6e8691ebd	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (1 TMS) - 70eV, Positive	splash10-000i-6698038000-b3c7f9cdaefc88bd3a33	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS ("Kuwanon Y,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kuwanon Y GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 10V, Positive-QTOF	splash10-001i-0211590000-0a3d316334b3e93abbaf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 20V, Positive-QTOF	splash10-0079-0932750000-8bc682c84a9463f4bfca	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 40V, Positive-QTOF	splash10-052r-0976220000-a4c1972d049967962ec4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 10V, Negative-QTOF	splash10-001i-0000090000-c1024a32faecbe6a3184	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 20V, Negative-QTOF	splash10-001l-0130190000-de6c5d451469467324b6	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 40V, Negative-QTOF	splash10-0a4s-0675090000-fd669b32602977437a7f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 10V, Negative-QTOF	splash10-001i-0000090000-c0b654bdd9ad61dacac8	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 20V, Negative-QTOF	splash10-001r-0530390000-cc5510702bfb9b71b5c6	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 40V, Negative-QTOF	splash10-0fc0-2691560000-64682001b881620d0e66	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 10V, Positive-QTOF	splash10-001i-0021490000-74b242fedf8ecf974b4c	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 20V, Positive-QTOF	splash10-00o0-0351590000-3bcae79a6099729e4853	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kuwanon Y 40V, Positive-QTOF	splash10-069c-1231790000-719c35a7ae1a506a0dd7	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB011320

KNApSAcK ID

C00008098

Chemspider ID

35013582

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14334305

PDB ID

Not Available

ChEBI ID

172757

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1834561

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Kuwanon Y (HMDB0033296)

MOL for HMDB0033296 (Kuwanon Y)

3D MOL for HMDB0033296 (Kuwanon Y)

3D SDF for HMDB0033296 (Kuwanon Y)

3D-SDF for HMDB0033296 (Kuwanon Y)

PDB for HMDB0033296 (Kuwanon Y)

3D PDB for HMDB0033296 (Kuwanon Y)

SMILES for HMDB0033296 (Kuwanon Y)

INCHI for HMDB0033296 (Kuwanon Y)

Structure for HMDB0033296 (Kuwanon Y)

3D Structure for HMDB0033296 (Kuwanon Y)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra