Hmdb loader

Showing metabocard for Hamamelitannin (HMDB0033785)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:32:49 UTC
Update Date2022-03-07 02:53:51 UTC
HMDB IDHMDB0033785
Secondary Accession Numbers
  • HMDB33785
Metabolite Identification
Common NameHamamelitannin
DescriptionHamamelitannin belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Hamamelitannin has been detected, but not quantified in, nuts. This could make hamamelitannin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Hamamelitannin.
Structure
Data?1563862459
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0033785 (Hamamelitannin)


  Mrv0541 05061307212D          

 34 36  0  0  0  0            999 V2000
    3.5564   -7.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510   -7.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2577   -4.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082   -2.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0715   -6.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209   -8.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9155   -7.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8280    0.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728   -4.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -8.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    1.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277   -3.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071   -6.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112   -0.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6928   -3.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3603   -2.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058   -9.0535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0950   -7.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170    1.9531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    1.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -9.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309    2.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -3.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275   -6.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9082   -3.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123   -2.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9221   -5.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632   -1.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478   -4.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 20  6  1  0  0  0  0
 20 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  2  0  0  0  0
 29 18  2  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32  5  1  0  0  0  0
 32 17  1  0  0  0  0
 33  6  1  0  0  0  0
 33 18  1  0  0  0  0
 34 13  1  0  0  0  0
 34 19  1  0  0  0  0
M  END
Download

3D MOL for HMDB0033785 (Hamamelitannin)

HMDB0033785
     RDKit          3D
Hamamelitannin
 54 56  0  0  0  0  0  0  0  0999 V2000
    3.0084    1.3871    0.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    0.5383   -0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238   -0.5090   -1.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855   -0.9773   -1.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553   -1.3908   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592   -2.0144   -0.7743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343   -2.1845    0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474   -2.9290    0.5782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8343   -0.7552    0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315   -0.4473    2.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5880    0.0298   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.0518   -0.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0205   -0.6380   -0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9704   -1.8144   -0.6774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3453   -0.0064   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4669    1.2914    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6880    1.8654    0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7600    3.2025    1.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8224    1.1232    0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0492    1.7157    0.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7334   -0.1861   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8862   -0.9313   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4934   -0.7460   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -0.2988    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.3434    1.8536 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2165    0.6712   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0654   -0.2441   -0.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4440   -0.1204   -0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105   -1.0454   -1.4876 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0065    0.9430   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4017    1.0805   -0.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1593    1.8614    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7094    2.9410    1.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7784    1.7346    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312   -1.8801   -2.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -0.2414   -2.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.2191    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1970   -2.6235    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051   -2.6704    1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1181   -0.3131    2.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1939   -0.2661   -1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2155    1.1057   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5569    1.8870    0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9098    3.7318    1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8827    1.1683    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8163   -1.8868   -0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3995   -1.7803   -0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571    0.6835    0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8228   -1.1407    1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6386   -1.0969   -1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848   -1.8218   -1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    0.4016   -0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1323    3.6458    1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069    2.4614    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
  9 24  1  0
 24 25  1  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 24  5  1  0
 34 26  1  0
 23 15  1  0
  4 35  1  0
  4 36  1  0
  5 37  1  0
  7 38  1  0
  8 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 16 43  1  0
 18 44  1  0
 20 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 27 50  1  0
 29 51  1  0
 31 52  1  0
 33 53  1  0
 34 54  1  0
M  END
Download

3D SDF for HMDB0033785 (Hamamelitannin)


  Mrv0541 05061307212D          

 34 36  0  0  0  0            999 V2000
    3.5564   -7.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510   -7.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731    0.1138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2577   -4.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8082   -2.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0715   -6.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661   -0.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209   -8.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9155   -7.8048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4690    1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8280    0.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728   -4.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004   -8.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2760    1.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277   -3.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071   -6.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5112   -0.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6928   -3.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3603   -2.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7058   -9.0535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0950   -7.8911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9170    1.9531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6350    1.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -9.2259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309    2.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8123   -3.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2275   -6.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7042   -1.0139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9082   -3.0831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9123   -2.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9221   -5.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0632   -1.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478   -4.1227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  2  0  0  0  0
  8  4  1  0  0  0  0
  9  1  1  0  0  0  0
 10  2  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  2  0  0  0  0
 13  5  1  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 20  6  1  0  0  0  0
 20 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21  9  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  2  0  0  0  0
 29 18  2  0  0  0  0
 30 19  1  0  0  0  0
 31 20  1  0  0  0  0
 32  5  1  0  0  0  0
 32 17  1  0  0  0  0
 33  6  1  0  0  0  0
 33 18  1  0  0  0  0
 34 13  1  0  0  0  0
 34 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033785

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2

> <INCHI_KEY>
FEPAFOYQTIEEIS-UHFFFAOYSA-N

> <FORMULA>
C20H20O14

> <MOLECULAR_WEIGHT>
484.3644

> <EXACT_MASS>
484.085305348

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
45.033504983419405

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
0.89

> <JCHEM_LOGP>
0.10067019300000002

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.40712854892562

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.806346578154

> <JCHEM_PKA_STRONGEST_BASIC>
-4.404458430808673

> <JCHEM_POLAR_SURFACE_AREA>
243.89999999999995

> <JCHEM_REFRACTIVITY>
107.67219999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0033785 (Hamamelitannin)

HMDB0033785
     RDKit          3D
Hamamelitannin
 54 56  0  0  0  0  0  0  0  0999 V2000
    3.0084    1.3871    0.0345 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7448    0.5383   -0.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238   -0.5090   -1.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9855   -0.9773   -1.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553   -1.3908   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0592   -2.0144   -0.7743 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343   -2.1845    0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474   -2.9290    0.5782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8343   -0.7552    0.8561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315   -0.4473    2.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5880    0.0298   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9125    0.0518   -0.1061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0205   -0.6380   -0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9704   -1.8144   -0.6774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3453   -0.0064   -0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4669    1.2914    0.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6880    1.8654    0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7600    3.2025    1.0582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8224    1.1232    0.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0492    1.7157    0.6548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7334   -0.1861   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8862   -0.9313   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4934   -0.7460   -0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -0.2988    0.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542   -0.3434    1.8536 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2165    0.6712   -0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0654   -0.2441   -0.9872 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4440   -0.1204   -0.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3105   -1.0454   -1.4876 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0065    0.9430   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4017    1.0805   -0.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1593    1.8614    0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7094    2.9410    1.0225 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7784    1.7346    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0312   -1.8801   -2.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3676   -0.2414   -2.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542   -2.2191    0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1970   -2.6235    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051   -2.6704    1.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1181   -0.3131    2.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1939   -0.2661   -1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2155    1.1057   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5569    1.8870    0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9098    3.7318    1.2006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8827    1.1683    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8163   -1.8868   -0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3995   -1.7803   -0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5571    0.6835    0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8228   -1.1407    1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6386   -1.0969   -1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8848   -1.8218   -1.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0101    0.4016   -0.5727 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1323    3.6458    1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1069    2.4614    0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
  9 24  1  0
 24 25  1  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 24  5  1  0
 34 26  1  0
 23 15  1  0
  4 35  1  0
  4 36  1  0
  5 37  1  0
  7 38  1  0
  8 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 16 43  1  0
 18 44  1  0
 20 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 27 50  1  0
 29 51  1  0
 31 52  1  0
 33 53  1  0
 34 54  1  0
M  END
Download

PDB for HMDB0033785 (Hamamelitannin)

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       6.639 -14.247   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.202 -13.162   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.266   1.037   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.803   0.212   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.081  -8.942   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.375  -4.182   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.733 -13.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.297  -0.108   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.012 -15.654   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.576 -14.569   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.742   2.501   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.279   1.677   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.176  -7.696   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.481 -15.815   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.249   2.821   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.652  -6.231   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.360 -11.594   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.821  -1.572   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.160  -6.231   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.406  -5.326   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.917 -16.900   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.044 -14.730   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       1.712   3.646   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       6.785   1.997   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       3.854 -17.222   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       4.724   4.286   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       7.116  -5.755   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       7.891 -11.433   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.315  -1.893   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       1.695  -5.755   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.436  -4.182   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.455 -10.348   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       3.851  -2.717   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       3.636  -7.696   0.000  0.00  0.00           O+0
CONECT    1    7    9                                                       
CONECT    2    7   10                                                       
CONECT    3    8   11                                                       
CONECT    4    8   12                                                       
CONECT    5   13   32                                                       
CONECT    6   20   33                                                       
CONECT    7    1    2   17                                                  
CONECT    8    3    4   18                                                  
CONECT    9    1   14   21                                                  
CONECT   10    2   14   22                                                  
CONECT   11    3   15   23                                                  
CONECT   12    4   15   24                                                  
CONECT   13    5   16   34                                                  
CONECT   14    9   10   25                                                  
CONECT   15   11   12   26                                                  
CONECT   16   13   20   27                                                  
CONECT   17    7   28   32                                                  
CONECT   18    8   29   33                                                  
CONECT   19   20   30   34                                                  
CONECT   20    6   16   19   31                                             
CONECT   21    9                                                            
CONECT   22   10                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
CONECT   25   14                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32    5   17                                                       
CONECT   33    6   18                                                       
CONECT   34   13   19                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END
Download

3D PDB for HMDB0033785 (Hamamelitannin)

COMPND    HMDB0033785
HETATM    1  O1  UNL     1       3.008   1.387   0.034  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.745   0.538  -0.499  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.224  -0.509  -1.160  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.985  -0.977  -1.449  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.155  -1.391  -0.296  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.059  -2.014  -0.774  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.634  -2.185   0.527  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.747  -2.929   0.578  1.00  0.00           O  
HETATM    9  C5  UNL     1      -0.834  -0.755   0.856  1.00  0.00           C  
HETATM   10  O5  UNL     1      -1.131  -0.447   2.166  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.588   0.030  -0.144  1.00  0.00           C  
HETATM   12  O6  UNL     1      -2.912   0.052  -0.106  1.00  0.00           O  
HETATM   13  C7  UNL     1      -4.020  -0.638  -0.292  1.00  0.00           C  
HETATM   14  O7  UNL     1      -3.970  -1.814  -0.677  1.00  0.00           O  
HETATM   15  C8  UNL     1      -5.345  -0.006  -0.039  1.00  0.00           C  
HETATM   16  C9  UNL     1      -5.467   1.291   0.389  1.00  0.00           C  
HETATM   17  C10 UNL     1      -6.688   1.865   0.620  1.00  0.00           C  
HETATM   18  O8  UNL     1      -6.760   3.203   1.058  1.00  0.00           O  
HETATM   19  C11 UNL     1      -7.822   1.123   0.418  1.00  0.00           C  
HETATM   20  O9  UNL     1      -9.049   1.716   0.655  1.00  0.00           O  
HETATM   21  C12 UNL     1      -7.733  -0.186  -0.012  1.00  0.00           C  
HETATM   22  O10 UNL     1      -8.886  -0.931  -0.214  1.00  0.00           O  
HETATM   23  C13 UNL     1      -6.493  -0.746  -0.239  1.00  0.00           C  
HETATM   24  C14 UNL     1       0.674  -0.299   0.609  1.00  0.00           C  
HETATM   25  O11 UNL     1       1.254  -0.343   1.854  1.00  0.00           O  
HETATM   26  C15 UNL     1       5.216   0.671  -0.412  1.00  0.00           C  
HETATM   27  C16 UNL     1       6.065  -0.244  -0.987  1.00  0.00           C  
HETATM   28  C17 UNL     1       7.444  -0.120  -0.907  1.00  0.00           C  
HETATM   29  O12 UNL     1       8.311  -1.045  -1.488  1.00  0.00           O  
HETATM   30  C18 UNL     1       8.007   0.943  -0.236  1.00  0.00           C  
HETATM   31  O13 UNL     1       9.402   1.081  -0.146  1.00  0.00           O  
HETATM   32  C19 UNL     1       7.159   1.861   0.341  1.00  0.00           C  
HETATM   33  O14 UNL     1       7.709   2.941   1.023  1.00  0.00           O  
HETATM   34  C20 UNL     1       5.778   1.735   0.259  1.00  0.00           C  
HETATM   35  H1  UNL     1       2.031  -1.880  -2.142  1.00  0.00           H  
HETATM   36  H2  UNL     1       1.368  -0.241  -2.053  1.00  0.00           H  
HETATM   37  H3  UNL     1       1.654  -2.219   0.277  1.00  0.00           H  
HETATM   38  H4  UNL     1       0.197  -2.624   1.183  1.00  0.00           H  
HETATM   39  H5  UNL     1      -2.305  -2.670   1.333  1.00  0.00           H  
HETATM   40  H6  UNL     1      -2.118  -0.313   2.252  1.00  0.00           H  
HETATM   41  H7  UNL     1      -1.194  -0.266  -1.203  1.00  0.00           H  
HETATM   42  H8  UNL     1      -1.216   1.106  -0.032  1.00  0.00           H  
HETATM   43  H9  UNL     1      -4.557   1.887   0.551  1.00  0.00           H  
HETATM   44  H10 UNL     1      -5.910   3.732   1.201  1.00  0.00           H  
HETATM   45  H11 UNL     1      -9.883   1.168   0.506  1.00  0.00           H  
HETATM   46  H12 UNL     1      -8.816  -1.887  -0.528  1.00  0.00           H  
HETATM   47  H13 UNL     1      -6.399  -1.780  -0.580  1.00  0.00           H  
HETATM   48  H14 UNL     1       0.557   0.684   0.155  1.00  0.00           H  
HETATM   49  H15 UNL     1       1.823  -1.141   1.970  1.00  0.00           H  
HETATM   50  H16 UNL     1       5.639  -1.097  -1.525  1.00  0.00           H  
HETATM   51  H17 UNL     1       7.885  -1.822  -1.977  1.00  0.00           H  
HETATM   52  H18 UNL     1      10.010   0.402  -0.573  1.00  0.00           H  
HETATM   53  H19 UNL     1       7.132   3.646   1.465  1.00  0.00           H  
HETATM   54  H20 UNL     1       5.107   2.461   0.715  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   26
CONECT    3    4
CONECT    4    5   35   36
CONECT    5    6   24   37
CONECT    6    7
CONECT    7    8    9   38
CONECT    8   39
CONECT    9   10   11   24
CONECT   10   40
CONECT   11   12   41   42
CONECT   12   13
CONECT   13   14   14   15
CONECT   15   16   16   23
CONECT   16   17   43
CONECT   17   18   19   19
CONECT   18   44
CONECT   19   20   21
CONECT   20   45
CONECT   21   22   23   23
CONECT   22   46
CONECT   23   47
CONECT   24   25   48
CONECT   25   49
CONECT   26   27   27   34
CONECT   27   28   50
CONECT   28   29   30   30
CONECT   29   51
CONECT   30   31   32
CONECT   31   52
CONECT   32   33   34   34
CONECT   33   53
CONECT   34   54
END
Download

SMILES for HMDB0033785 (Hamamelitannin)

OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1
Download

INCHI for HMDB0033785 (Hamamelitannin)

InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
2',5-DigalloylhamamelofuranoseHMDB
2,3-Di-O-galloyl-D-glucoseHMDB
2,3-DigalloylglucoseHMDB
{3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoic acidGenerator
DigalloylhamameloseMeSH
HamamelitanninMeSH
2',5-Di-O-galloyl hamameloseMeSH
Chemical FormulaC20H20O14
Average Molecular Weight484.3644
Monoisotopic Molecular Weight484.085305348
IUPAC Name{3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoate
Traditional Name{3,4,5-trihydroxy-4-[(3,4,5-trihydroxybenzoyloxy)methyl]oxolan-2-yl}methyl 3,4,5-trihydroxybenzoate
CAS Registry Number469-32-9
SMILES
OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C1
InChI Identifier
InChI=1S/C20H20O14/c21-9-1-7(2-10(22)14(9)25)17(28)32-5-13-16(27)20(31,19(30)34-13)6-33-18(29)8-3-11(23)15(26)12(24)4-8/h1-4,13,16,19,21-27,30-31H,5-6H2
InChI KeyFEPAFOYQTIEEIS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzoic acids and derivatives
Direct ParentGalloyl esters
Alternative Parents
Substituents
  • Galloyl ester
  • P-hydroxybenzoic acid alkyl ester
  • M-hydroxybenzoic acid ester
  • P-hydroxybenzoic acid ester
  • Benzoate ester
  • Pentose monosaccharide
  • Benzenetriol
  • Pyrogallol derivative
  • Benzoyl
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Dicarboxylic acid or derivatives
  • Monosaccharide
  • Tetrahydrofuran
  • Tertiary alcohol
  • 1,2-diol
  • Carboxylic acid ester
  • Hemiacetal
  • Secondary alcohol
  • Oxacycle
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Polyol
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point146 - 147 °CNot Available
Boiling Point948.70 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility13560 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP3.120 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.92 g/LALOGPS
logP0.89ALOGPS
logP0.1ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)7.81ChemAxon
pKa (Strongest Basic)-4.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area243.9 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity107.67 m³·mol⁻¹ChemAxon
Polarizability45.03 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+207.29331661259
DarkChem[M-H]-200.08731661259
DeepCCS[M+H]+205.69130932474
DeepCCS[M-H]-203.29530932474
DeepCCS[M-2H]-236.17730932474
DeepCCS[M+Na]+211.60330932474
AllCCS[M+H]+203.632859911
AllCCS[M+H-H2O]+201.732859911
AllCCS[M+NH4]+205.332859911
AllCCS[M+Na]+205.832859911
AllCCS[M-H]-199.332859911
AllCCS[M+Na-2H]-199.932859911
AllCCS[M+HCOO]-200.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
HamamelitanninOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C16489.3Standard polar33892256
HamamelitanninOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C14022.2Standard non polar33892256
HamamelitanninOC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C14413.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Hamamelitannin,1TMS,isomer #1C[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C14463.7Semi standard non polar33892256
Hamamelitannin,1TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4430.6Semi standard non polar33892256
Hamamelitannin,1TMS,isomer #3C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4384.3Semi standard non polar33892256
Hamamelitannin,1TMS,isomer #4C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C14508.0Semi standard non polar33892256
Hamamelitannin,1TMS,isomer #5C[Si](C)(C)OC1(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O4532.9Semi standard non polar33892256
Hamamelitannin,1TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4430.7Semi standard non polar33892256
Hamamelitannin,1TMS,isomer #7C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4384.6Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4336.8Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4352.4Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4347.8Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4283.7Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #13C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)C=C1O4330.4Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4239.2Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #15C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O4241.6Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #16C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O4317.7Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #17C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)O[Si](C)(C)C4464.0Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4352.4Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #19C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O4317.4Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #2C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4301.6Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4367.2Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #21C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4330.2Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4347.9Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4283.3Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #3C[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C14406.3Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #4C[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)O[Si](C)(C)C4413.7Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4336.5Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #6C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4301.2Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4367.8Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4295.8Semi standard non polar33892256
Hamamelitannin,2TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4239.5Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4284.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #10C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O4235.1Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #11C[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)O[Si](C)(C)C4338.3Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4265.2Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #13C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O4234.4Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4284.4Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #15C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4250.1Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4236.5Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4191.7Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4190.2Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4117.0Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4163.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4313.7Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4272.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4227.5Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4130.1Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4078.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4185.5Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4130.0Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4079.1Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4095.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4074.7Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4084.7Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4037.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4257.4Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #32C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4214.2Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4222.1Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4116.4Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #35C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)C=C1O4136.4Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #36C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4265.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4096.2Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4074.0Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4036.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4265.4Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #40C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C=C1O4086.3Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4313.5Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #42C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O4265.1Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4257.1Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #44C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4213.9Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4272.1Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4226.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4221.9Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4237.3Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4192.2Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #7C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)C=C1O4250.8Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4084.7Semi standard non polar33892256
Hamamelitannin,3TMS,isomer #9C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)C=C1O4106.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4119.5Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O3992.1Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4015.4Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4028.6Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4008.1Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4194.4Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4157.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4165.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4050.8Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #18C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)C=C1O4069.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #19C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4194.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4050.9Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4015.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4028.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4007.9Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #23C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)C=C1O4041.6Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4241.1Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #25C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)C=C1O4194.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4194.4Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4157.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4218.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4173.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4241.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4165.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4059.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #32C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4028.8Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4134.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4058.9Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4029.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4050.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4056.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4034.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4240.6Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4218.5Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #40C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4192.5Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4198.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #42C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4040.6Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4045.4Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #44C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O3992.9Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O3978.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4014.5Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O3978.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #48C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O[Si](C)(C)C3951.4Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #49C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4045.1Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4173.4Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #50C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4014.7Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #51C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4040.5Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #52C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4018.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #53C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C3991.7Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #54C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3991.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #55C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4195.1Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #56C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4050.0Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #57C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4056.1Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #58C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4034.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #59C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O4047.1Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4023.3Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #60C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4017.6Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #61C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C3991.5Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #62C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3990.7Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #63C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4240.6Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #64C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4192.2Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #65C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4195.4Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #66C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4197.6Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O3992.4Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4096.3Semi standard non polar33892256
Hamamelitannin,4TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4022.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4020.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4129.7Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4149.6Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O3992.8Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O3986.7Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O3995.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O3983.6Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O3970.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #17C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O3983.7Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O[Si](C)(C)C3955.5Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O3987.0Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4005.5Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #20C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O3970.6Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #21C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O3992.2Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4001.4Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C3978.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #24C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3992.1Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #25C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4120.6Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4000.8Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4036.0Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C4014.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #29C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O3999.0Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4073.3Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4000.8Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C3979.0Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #32C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3992.3Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4158.4Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C4130.0Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4121.1Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4149.6Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O4027.8Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4028.0Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4028.4Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4021.1Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #40C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O4012.1Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #41C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4011.6Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #42C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4012.1Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #43C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C3989.4Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #44C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4028.1Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4011.5Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #46C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4027.5Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4019.2Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #48C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C3997.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #49C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4022.4Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O[Si](C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O4005.2Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #50C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4166.5Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #51C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4007.2Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #52C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O3993.7Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #53C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O[Si](C)(C)C3964.8Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #54C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4001.0Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #55C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O3985.1Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #56C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O[Si](C)(C)C)=C1O3993.3Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #57C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O3985.1Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #58C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C3956.5Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #59C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O)=CC(O)=C1O[Si](C)(C)C3964.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O4000.9Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #60C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C2O[Si](C)(C)C)=CC(O)=C1O4006.7Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #61C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3987.7Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #62C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4019.2Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #63C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C3998.2Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #64C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4022.7Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #65C[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C3987.7Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #66C[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C4166.8Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O4036.0Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C4014.2Semi standard non polar33892256
Hamamelitannin,5TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O4158.4Semi standard non polar33892256
Hamamelitannin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C14759.7Semi standard non polar33892256
Hamamelitannin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4717.4Semi standard non polar33892256
Hamamelitannin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4696.3Semi standard non polar33892256
Hamamelitannin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C14770.7Semi standard non polar33892256
Hamamelitannin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C1O4785.7Semi standard non polar33892256
Hamamelitannin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4717.6Semi standard non polar33892256
Hamamelitannin,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4696.3Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4842.9Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4823.5Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4802.1Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4740.5Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O)C=C1O4810.0Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4722.9Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C=C1O4775.6Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C=C1O4796.3Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(O)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)O[Si](C)(C)C(C)(C)C4924.5Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4823.6Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C=C1O4796.1Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4820.9Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4833.0Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4809.9Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4801.2Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4739.8Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1(O)COC(=O)C1=CC(O)=C(O)C(O)=C14936.6Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)O[Si](C)(C)C(C)(C)C4931.2Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4842.6Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4820.8Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4833.4Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)=CC(O)=C1O4750.4Semi standard non polar33892256
Hamamelitannin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4723.6Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4940.6Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C=C1O4880.5Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1(COC(=O)C1=CC(O)=C(O)C(O)=C1)O[Si](C)(C)C(C)(C)C5017.3Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4919.5Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C=C1O4880.8Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O4940.4Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)C=C1O4899.4Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4896.1Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4846.3Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4831.7Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O4835.0Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)=CC(O)=C1O4825.7Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4925.8Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4899.0Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4848.8Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)=CC(O)=C1O4808.8Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)=CC(O)=C1O4761.1Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4817.6Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)=CC(O)=C1O4809.0Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C2O)=CC(O)=C1O4761.2Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4806.0Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4859.0Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4825.6Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4814.7Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O4887.6Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C4836.9Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4831.7Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4834.6Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O)C=C1O4935.2Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O4878.9Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #37CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4805.7Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #38CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4858.8Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #39CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4814.4Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4919.4Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #40CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C=C1O4898.4Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #41CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O4925.6Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #42CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)C=C1O4878.7Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #43CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C1O4888.0Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #44CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O[Si](C)(C)C(C)(C)C4836.7Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #45CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4898.5Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #46CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O[Si](C)(C)C(C)(C)C)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4848.6Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #47CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O)OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O[Si](C)(C)C(C)(C)C4831.2Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O4896.4Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O)C(O)=C3)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C4846.7Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(COC(=O)C3=CC(O)=C(O)C(O)=C3)(O[Si](C)(C)C(C)(C)C)C2O)C=C1O4899.2Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2(O)C(O[Si](C)(C)C(C)(C)C)OC(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)=CC(O)=C1O4825.4Semi standard non polar33892256
Hamamelitannin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(O[Si](C)(C)C(C)(C)C)C(O)(COC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C2O)C=C1O4918.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Hamamelitannin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udi-2973300000-8e8de53696948f8dbff02017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hamamelitannin GC-MS (2 TMS) - 70eV, Positivesplash10-0w4r-8984214000-b66a034c7cdf78f5b1652017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Hamamelitannin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 10V, Positive-QTOFsplash10-0gbi-0756900000-ffc79e6526813be28daa2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 20V, Positive-QTOFsplash10-0gba-0924200000-e83ec2aaa98c793d9d4d2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 40V, Positive-QTOFsplash10-0udi-0910000000-3b2eb3f9894aea9e739c2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 10V, Negative-QTOFsplash10-0159-1912500000-313cc8ab47836e5178c12015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 20V, Negative-QTOFsplash10-014i-0901000000-7a9d822929bffc84bf862015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 40V, Negative-QTOFsplash10-016r-0900000000-352dc7cb29d29dde220c2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 10V, Negative-QTOFsplash10-001i-0140900000-cc437a973eb2fb4ebdb62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 20V, Negative-QTOFsplash10-014i-0980500000-542646ac1a81e600d87b2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 40V, Negative-QTOFsplash10-00or-0901100000-fc7b780d00d4915f653e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 10V, Positive-QTOFsplash10-014r-0623900000-ab1d5a8ce8207cbbb7852021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 20V, Positive-QTOFsplash10-0gb9-0923300000-3cb1a7e5516133dd44382021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Hamamelitannin 40V, Positive-QTOFsplash10-0ufr-0920100000-b24d2329f2501ea59f5c2021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011943
KNApSAcK IDC00055259
Chemspider ID222425
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTannin
METLIN IDNot Available
PubChem Compound253775
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1700371
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .