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Showing metabocard for Astilbin (HMDB0033850)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:37:30 UTC
Update Date2022-03-07 02:53:52 UTC
HMDB IDHMDB0033850
Secondary Accession Numbers
  • HMDB33850
Metabolite Identification
Common NameAstilbin
DescriptionAstilbin is found in alcoholic beverages. Astilbin is a constituent of Vitis vinifera (wine grape).Astilbin is a flavanonol, a type of flavonoid. It can be found in St John's wort (Hypericum perforatum, Clusiaceae, subfamily Hypericoideae, formerly often considered a full family Hypericaceae), in Dimorphandra mollis (Fava d'anta, Fabaceae), in the the leaves of Harungana madagascariensis (Hypericaceae), in the rhizome of Astilbe thunbergii, in the root of Astilbe odontophylla(Saxifragaceae) and in the rhizone of Smilax glabra (Chinaroot, Smilacaceae).
Structure
Data?1563862470
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0033850 (Astilbin)

Dihydroquercetin 3-O-rhamnoside
  Mrv1652309281722592D          

 32 35  0  0  1  0            999 V2000
   -0.1786   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5358   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -2.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2503   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -1.2374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5358   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6791   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6791   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2503   -4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
  7 19  1  6  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 19 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  1  0  0  0
M  END
Download

3D MOL for HMDB0033850 (Astilbin)

HMDB0033850
     RDKit          3D
Astilbin
 54 57  0  0  0  0  0  0  0  0999 V2000
    3.4826   -0.6558   -1.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602   -0.7695   -0.4719 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6030   -1.2381    0.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778   -0.3323    0.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4402   -0.8100    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -0.8561   -0.0184 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0892   -2.3056   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -3.2279    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -2.5937   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6160   -3.8492   -1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -4.9051   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554   -4.0190   -1.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7487   -2.9860   -2.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9790   -3.2167   -2.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4366   -1.7490   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -1.5136   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162   -0.2585   -0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -0.1706    0.6004 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6083    1.1897    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    1.4629    2.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1754    2.7291    2.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    3.7610    1.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    5.0501    2.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2364    3.5377    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    4.6237   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046    2.2398    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527    0.9713    0.8305 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7976    2.0654   -0.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.8943    1.2630 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8323    2.1086    1.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    0.5871   -0.0186 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5410    0.6092    0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    0.3867   -2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -0.7200   -2.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -1.4241   -2.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6106   -1.4699   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.0780   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -0.4898   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -5.0378   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -5.0037   -2.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675   -3.0512   -3.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1295   -0.9226   -1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.8439    1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176    0.6536    3.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0464    2.9240    3.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    5.2172    3.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358    4.5029   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6217    2.1139   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    1.1210    1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5122    2.7029    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    0.0437    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515    1.9287    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9738    1.3928   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268   -0.3193    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
  4 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  2  1  0
 18  6  1  0
 26 19  1  0
 16  9  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  6
  4 37  1  6
  6 38  1  6
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  1
 20 44  1  0
 21 45  1  0
 23 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  1
 28 50  1  0
 29 51  1  1
 30 52  1  0
 31 53  1  6
 32 54  1  0
M  END
Download

3D SDF for HMDB0033850 (Astilbin)

Dihydroquercetin 3-O-rhamnoside
  Mrv1652309281722592D          

 32 35  0  0  1  0            999 V2000
   -0.1786   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5358   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -2.4749    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2503   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5358   -1.2374    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5358   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1786    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0365    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3221   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6076   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6791    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3937    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6791   -2.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9648   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6791   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2503   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2503   -4.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
  6 17  1  0  0  0  0
 17 18  2  0  0  0  0
  7 19  1  6  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 19 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
  2 31  1  0  0  0  0
 31 32  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0033850

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1

> <INCHI_KEY>
ZROGCCBNZBKLEL-MPRHSVQHSA-N

> <FORMULA>
C21H22O11

> <MOLECULAR_WEIGHT>
450.3928

> <EXACT_MASS>
450.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
42.85745817441533

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
0.79

> <JCHEM_LOGP>
1.0924585889999998

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.000676709656753

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.741338554809933

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612182875000423

> <JCHEM_POLAR_SURFACE_AREA>
186.37

> <JCHEM_REFRACTIVITY>
105.47849999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.64e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
astilbin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0033850 (Astilbin)

HMDB0033850
     RDKit          3D
Astilbin
 54 57  0  0  0  0  0  0  0  0999 V2000
    3.4826   -0.6558   -1.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7602   -0.7695   -0.4719 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6030   -1.2381    0.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5778   -0.3323    0.1900 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4402   -0.8100    0.7780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6689   -0.8561   -0.0184 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0892   -2.3056   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4272   -3.2279    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3475   -2.5937   -0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6160   -3.8492   -1.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7497   -4.9051   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8554   -4.0190   -1.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7487   -2.9860   -2.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9790   -3.2167   -2.6611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4366   -1.7490   -1.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2261   -1.5136   -0.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9162   -0.2585   -0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864   -0.1706    0.6004 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6083    1.1897    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4396    1.4629    2.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1754    2.7291    2.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0753    3.7610    1.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8085    5.0501    2.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2364    3.5377    0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1236    4.6237   -0.2393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5046    2.2398    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9527    0.9713    0.8305 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7976    2.0654   -0.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.8943    1.2630 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8323    2.1086    1.8106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1824    0.5871   -0.0186 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5410    0.6092    0.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0913    0.3867   -2.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4572   -0.7200   -2.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -1.4241   -2.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6106   -1.4699   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957   -0.0780   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4830   -0.4898   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -5.0378   -0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -5.0037   -2.2986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675   -3.0512   -3.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1295   -0.9226   -1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -0.8439    1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176    0.6536    3.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0464    2.9240    3.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6897    5.2172    3.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2358    4.5029   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6217    2.1139   -0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3721    1.1210    1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5122    2.7029    0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5418    0.0437    1.9337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515    1.9287    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9738    1.3928   -0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268   -0.3193    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
  4 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31  2  1  0
 18  6  1  0
 26 19  1  0
 16  9  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  6
  4 37  1  6
  6 38  1  6
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 18 43  1  1
 20 44  1  0
 21 45  1  0
 23 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  1
 28 50  1  0
 29 51  1  1
 30 52  1  0
 31 53  1  6
 32 54  1  0
M  END
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PDB for HMDB0033850 (Astilbin)

HEADER    PROTEIN                                 28-SEP-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Dihydroquercetin 3-O-rhamnoside                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-SEP-17         0                                  
HETATM    1  C   UNK     0      -0.333  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.000  -6.930   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.000  -5.390   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.334  -4.620   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.334  -3.080   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       1.000  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.000  -0.770   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.333   0.000   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.667  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.001   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.335  -0.770   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -5.668   0.000   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -4.335  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -3.001  -3.080   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.001  -4.620   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -1.667  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.333  -3.080   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.333  -4.620   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.334   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.668  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.001   0.000   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.335  -0.770   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.001   1.540   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.335   2.310   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       3.668   2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.334   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.668  -5.390   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.001  -4.620   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.668  -6.930   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.001  -7.700   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.334  -7.700   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.334  -9.240   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   31                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   27                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   17                                                  
CONECT    7    6    8   19                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    9   17                                                  
CONECT   17   16    6   18                                                  
CONECT   18   17                                                            
CONECT   19    7   20   26                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   19                                                       
CONECT   27    4   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29    2   32                                                  
CONECT   32   31                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END
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3D PDB for HMDB0033850 (Astilbin)

COMPND    HMDB0033850
HETATM    1  C1  UNL     1       3.483  -0.656  -1.980  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.760  -0.769  -0.472  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.603  -1.238   0.093  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.578  -0.332   0.190  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.440  -0.810   0.778  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.669  -0.856  -0.018  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.089  -2.306  -0.091  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.427  -3.228   0.389  1.00  0.00           O  
HETATM    9  C6  UNL     1      -2.347  -2.594  -0.769  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.616  -3.849  -1.260  1.00  0.00           C  
HETATM   11  O4  UNL     1      -1.750  -4.905  -1.159  1.00  0.00           O  
HETATM   12  C8  UNL     1      -3.855  -4.019  -1.893  1.00  0.00           C  
HETATM   13  C9  UNL     1      -4.749  -2.986  -2.015  1.00  0.00           C  
HETATM   14  O5  UNL     1      -5.979  -3.217  -2.661  1.00  0.00           O  
HETATM   15  C10 UNL     1      -4.437  -1.749  -1.509  1.00  0.00           C  
HETATM   16  C11 UNL     1      -3.226  -1.514  -0.870  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.916  -0.259  -0.360  1.00  0.00           O  
HETATM   18  C12 UNL     1      -1.886  -0.171   0.600  1.00  0.00           C  
HETATM   19  C13 UNL     1      -1.608   1.190   1.037  1.00  0.00           C  
HETATM   20  C14 UNL     1      -1.440   1.463   2.375  1.00  0.00           C  
HETATM   21  C15 UNL     1      -1.175   2.729   2.851  1.00  0.00           C  
HETATM   22  C16 UNL     1      -1.075   3.761   1.964  1.00  0.00           C  
HETATM   23  O7  UNL     1      -0.808   5.050   2.426  1.00  0.00           O  
HETATM   24  C17 UNL     1      -1.236   3.538   0.613  1.00  0.00           C  
HETATM   25  O8  UNL     1      -1.124   4.624  -0.239  1.00  0.00           O  
HETATM   26  C18 UNL     1      -1.505   2.240   0.154  1.00  0.00           C  
HETATM   27  C19 UNL     1       1.953   0.971   0.830  1.00  0.00           C  
HETATM   28  O9  UNL     1       1.798   2.065  -0.022  1.00  0.00           O  
HETATM   29  C20 UNL     1       3.420   0.894   1.263  1.00  0.00           C  
HETATM   30  O10 UNL     1       3.832   2.109   1.811  1.00  0.00           O  
HETATM   31  C21 UNL     1       4.182   0.587  -0.019  1.00  0.00           C  
HETATM   32  O11 UNL     1       5.541   0.609   0.233  1.00  0.00           O  
HETATM   33  H1  UNL     1       3.091   0.387  -2.173  1.00  0.00           H  
HETATM   34  H2  UNL     1       4.457  -0.720  -2.502  1.00  0.00           H  
HETATM   35  H3  UNL     1       2.766  -1.424  -2.298  1.00  0.00           H  
HETATM   36  H4  UNL     1       4.611  -1.470  -0.379  1.00  0.00           H  
HETATM   37  H5  UNL     1       1.296  -0.078  -0.878  1.00  0.00           H  
HETATM   38  H6  UNL     1      -0.483  -0.490  -1.049  1.00  0.00           H  
HETATM   39  H7  UNL     1      -0.873  -5.038  -0.791  1.00  0.00           H  
HETATM   40  H8  UNL     1      -4.109  -5.004  -2.299  1.00  0.00           H  
HETATM   41  H9  UNL     1      -5.968  -3.051  -3.666  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.129  -0.923  -1.596  1.00  0.00           H  
HETATM   43  H11 UNL     1      -2.197  -0.844   1.454  1.00  0.00           H  
HETATM   44  H12 UNL     1      -1.518   0.654   3.074  1.00  0.00           H  
HETATM   45  H13 UNL     1      -1.046   2.924   3.904  1.00  0.00           H  
HETATM   46  H14 UNL     1      -0.690   5.217   3.414  1.00  0.00           H  
HETATM   47  H15 UNL     1      -1.236   4.503  -1.246  1.00  0.00           H  
HETATM   48  H16 UNL     1      -1.622   2.114  -0.900  1.00  0.00           H  
HETATM   49  H17 UNL     1       1.372   1.121   1.754  1.00  0.00           H  
HETATM   50  H18 UNL     1       2.512   2.703   0.202  1.00  0.00           H  
HETATM   51  H19 UNL     1       3.542   0.044   1.934  1.00  0.00           H  
HETATM   52  H20 UNL     1       4.651   1.929   2.315  1.00  0.00           H  
HETATM   53  H21 UNL     1       3.974   1.393  -0.774  1.00  0.00           H  
HETATM   54  H22 UNL     1       5.927  -0.319   0.229  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3   31   36
CONECT    3    4
CONECT    4    5   27   37
CONECT    5    6
CONECT    6    7   18   38
CONECT    7    8    8    9
CONECT    9   10   10   16
CONECT   10   11   12
CONECT   11   39
CONECT   12   13   13   40
CONECT   13   14   15
CONECT   14   41
CONECT   15   16   16   42
CONECT   16   17
CONECT   17   18
CONECT   18   19   43
CONECT   19   20   20   26
CONECT   20   21   44
CONECT   21   22   22   45
CONECT   22   23   24
CONECT   23   46
CONECT   24   25   26   26
CONECT   25   47
CONECT   26   48
CONECT   27   28   29   49
CONECT   28   50
CONECT   29   30   31   51
CONECT   30   52
CONECT   31   32   53
CONECT   32   54
END
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SMILES for HMDB0033850 (Astilbin)

C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
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INCHI for HMDB0033850 (Astilbin)

InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-oneChEBI
(2R,3R)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-oneChEBI
Dihydroquercetin-3-O-alpha-lrhapChEBI
(2R,3R)-3-[(6-Deoxy-a-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-oneGenerator
(2R,3R)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-oneGenerator
Dihydroquercetin-3-O-a-lrhapGenerator
Dihydroquercetin-3-O-α-lrhapGenerator
(2R-cis)-Isomer OF astilbinMeSH
(2S-cis)-Isomer OF astilbinMeSH
3-0-alpha-1-Rhamnosyl-(2R,3R)-dihydroquercetinMeSH
IsoastilbinMeSH
NeoisoastilbinMeSH
Chemical FormulaC21H22O11
Average Molecular Weight450.3928
Monoisotopic Molecular Weight450.116211546
IUPAC Name(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Nameastilbin
CAS Registry Number29838-67-3
SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1
InChI KeyZROGCCBNZBKLEL-MPRHSVQHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-3-o-glycoside
  • Hydroxyflavonoid
  • Flavanonol
  • Flavanone
  • 7-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 4'-hydroxyflavonoid
  • 3'-hydroxyflavonoid
  • Flavan
  • Hexose monosaccharide
  • Chromone
  • O-glycosyl compound
  • Glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Chromane
  • Aryl alkyl ketone
  • Aryl ketone
  • Catechol
  • 1-hydroxy-4-unsubstituted benzenoid
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Oxane
  • Monosaccharide
  • Vinylogous acid
  • Secondary alcohol
  • Ketone
  • Ether
  • Polyol
  • Organoheterocyclic compound
  • Acetal
  • Oxacycle
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point179 - 180 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility683.4 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Baker198.32730932474
[M+H]+Baker205.86730932474
[M-H]-Not Available198.327http://allccs.zhulab.cn/database/detail?ID=AllCCS00001938
[M+H]+Not Available205.867http://allccs.zhulab.cn/database/detail?ID=AllCCS00001938
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.64 g/LALOGPS
logP0.79ALOGPS
logP1.09ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)7.74ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area186.37 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity105.48 m³·mol⁻¹ChemAxon
Polarizability42.86 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+203.20531661259
DarkChem[M-H]-195.54731661259
DeepCCS[M+H]+199.10830932474
DeepCCS[M-H]-196.71230932474
DeepCCS[M-2H]-229.92130932474
DeepCCS[M+Na]+205.0230932474
AllCCS[M+H]+203.632859911
AllCCS[M+H-H2O]+201.332859911
AllCCS[M+NH4]+205.732859911
AllCCS[M+Na]+206.332859911
AllCCS[M-H]-201.132859911
AllCCS[M+Na-2H]-201.632859911
AllCCS[M+HCOO]-202.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AstilbinC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O5544.3Standard polar33892256
AstilbinC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O3830.8Standard non polar33892256
AstilbinC[C@@H]1O[C@@H](O[C@@H]2[C@H](OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O4112.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Astilbin,1TMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O3875.7Semi standard non polar33892256
Astilbin,1TMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O3904.6Semi standard non polar33892256
Astilbin,1TMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O3862.1Semi standard non polar33892256
Astilbin,1TMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O3878.5Semi standard non polar33892256
Astilbin,1TMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3878.7Semi standard non polar33892256
Astilbin,1TMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3880.3Semi standard non polar33892256
Astilbin,1TMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3893.9Semi standard non polar33892256
Astilbin,2TMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O3794.6Semi standard non polar33892256
Astilbin,2TMS,isomer #10C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3819.0Semi standard non polar33892256
Astilbin,2TMS,isomer #11C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3829.0Semi standard non polar33892256
Astilbin,2TMS,isomer #12C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O3768.0Semi standard non polar33892256
Astilbin,2TMS,isomer #13C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3753.4Semi standard non polar33892256
Astilbin,2TMS,isomer #14C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3744.0Semi standard non polar33892256
Astilbin,2TMS,isomer #15C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3763.5Semi standard non polar33892256
Astilbin,2TMS,isomer #16C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3760.7Semi standard non polar33892256
Astilbin,2TMS,isomer #17C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3754.0Semi standard non polar33892256
Astilbin,2TMS,isomer #18C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3776.9Semi standard non polar33892256
Astilbin,2TMS,isomer #19C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3792.1Semi standard non polar33892256
Astilbin,2TMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O3790.1Semi standard non polar33892256
Astilbin,2TMS,isomer #20C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3797.0Semi standard non polar33892256
Astilbin,2TMS,isomer #21C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3800.2Semi standard non polar33892256
Astilbin,2TMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O3790.6Semi standard non polar33892256
Astilbin,2TMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3774.9Semi standard non polar33892256
Astilbin,2TMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3769.4Semi standard non polar33892256
Astilbin,2TMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3788.0Semi standard non polar33892256
Astilbin,2TMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O3803.2Semi standard non polar33892256
Astilbin,2TMS,isomer #8C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O3796.4Semi standard non polar33892256
Astilbin,2TMS,isomer #9C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3819.4Semi standard non polar33892256
Astilbin,3TMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O3725.2Semi standard non polar33892256
Astilbin,3TMS,isomer #10C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3706.5Semi standard non polar33892256
Astilbin,3TMS,isomer #11C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3708.5Semi standard non polar33892256
Astilbin,3TMS,isomer #12C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3717.7Semi standard non polar33892256
Astilbin,3TMS,isomer #13C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3710.2Semi standard non polar33892256
Astilbin,3TMS,isomer #14C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3730.7Semi standard non polar33892256
Astilbin,3TMS,isomer #15C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3724.8Semi standard non polar33892256
Astilbin,3TMS,isomer #16C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O3721.9Semi standard non polar33892256
Astilbin,3TMS,isomer #17C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3703.6Semi standard non polar33892256
Astilbin,3TMS,isomer #18C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3689.5Semi standard non polar33892256
Astilbin,3TMS,isomer #19C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3716.5Semi standard non polar33892256
Astilbin,3TMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O3725.4Semi standard non polar33892256
Astilbin,3TMS,isomer #20C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3709.6Semi standard non polar33892256
Astilbin,3TMS,isomer #21C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3691.8Semi standard non polar33892256
Astilbin,3TMS,isomer #22C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3717.4Semi standard non polar33892256
Astilbin,3TMS,isomer #23C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3750.2Semi standard non polar33892256
Astilbin,3TMS,isomer #24C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3776.0Semi standard non polar33892256
Astilbin,3TMS,isomer #25C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3772.8Semi standard non polar33892256
Astilbin,3TMS,isomer #26C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3690.9Semi standard non polar33892256
Astilbin,3TMS,isomer #27C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3668.7Semi standard non polar33892256
Astilbin,3TMS,isomer #28C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3700.9Semi standard non polar33892256
Astilbin,3TMS,isomer #29C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3668.5Semi standard non polar33892256
Astilbin,3TMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3732.9Semi standard non polar33892256
Astilbin,3TMS,isomer #30C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3686.0Semi standard non polar33892256
Astilbin,3TMS,isomer #31C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3678.9Semi standard non polar33892256
Astilbin,3TMS,isomer #32C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3663.1Semi standard non polar33892256
Astilbin,3TMS,isomer #33C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3686.7Semi standard non polar33892256
Astilbin,3TMS,isomer #34C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3676.9Semi standard non polar33892256
Astilbin,3TMS,isomer #35C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3721.6Semi standard non polar33892256
Astilbin,3TMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3717.8Semi standard non polar33892256
Astilbin,3TMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3746.3Semi standard non polar33892256
Astilbin,3TMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O3729.9Semi standard non polar33892256
Astilbin,3TMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3702.3Semi standard non polar33892256
Astilbin,3TMS,isomer #8C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3708.6Semi standard non polar33892256
Astilbin,3TMS,isomer #9C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3717.1Semi standard non polar33892256
Astilbin,4TMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O3710.3Semi standard non polar33892256
Astilbin,4TMS,isomer #10C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3683.3Semi standard non polar33892256
Astilbin,4TMS,isomer #11C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3691.6Semi standard non polar33892256
Astilbin,4TMS,isomer #12C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3689.6Semi standard non polar33892256
Astilbin,4TMS,isomer #13C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3708.4Semi standard non polar33892256
Astilbin,4TMS,isomer #14C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3665.5Semi standard non polar33892256
Astilbin,4TMS,isomer #15C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3681.2Semi standard non polar33892256
Astilbin,4TMS,isomer #16C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3683.3Semi standard non polar33892256
Astilbin,4TMS,isomer #17C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3661.5Semi standard non polar33892256
Astilbin,4TMS,isomer #18C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3670.4Semi standard non polar33892256
Astilbin,4TMS,isomer #19C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3673.9Semi standard non polar33892256
Astilbin,4TMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3679.9Semi standard non polar33892256
Astilbin,4TMS,isomer #20C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3678.4Semi standard non polar33892256
Astilbin,4TMS,isomer #21C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3679.9Semi standard non polar33892256
Astilbin,4TMS,isomer #22C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3663.9Semi standard non polar33892256
Astilbin,4TMS,isomer #23C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3692.9Semi standard non polar33892256
Astilbin,4TMS,isomer #24C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3640.3Semi standard non polar33892256
Astilbin,4TMS,isomer #25C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3647.7Semi standard non polar33892256
Astilbin,4TMS,isomer #26C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3647.1Semi standard non polar33892256
Astilbin,4TMS,isomer #27C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3646.0Semi standard non polar33892256
Astilbin,4TMS,isomer #28C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3647.7Semi standard non polar33892256
Astilbin,4TMS,isomer #29C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3647.8Semi standard non polar33892256
Astilbin,4TMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3697.5Semi standard non polar33892256
Astilbin,4TMS,isomer #30C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3719.3Semi standard non polar33892256
Astilbin,4TMS,isomer #31C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3636.0Semi standard non polar33892256
Astilbin,4TMS,isomer #32C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3647.5Semi standard non polar33892256
Astilbin,4TMS,isomer #33C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3643.6Semi standard non polar33892256
Astilbin,4TMS,isomer #34C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3624.4Semi standard non polar33892256
Astilbin,4TMS,isomer #35C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3617.1Semi standard non polar33892256
Astilbin,4TMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3709.7Semi standard non polar33892256
Astilbin,4TMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3676.6Semi standard non polar33892256
Astilbin,4TMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3693.1Semi standard non polar33892256
Astilbin,4TMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3703.6Semi standard non polar33892256
Astilbin,4TMS,isomer #8C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3672.8Semi standard non polar33892256
Astilbin,4TMS,isomer #9C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3683.0Semi standard non polar33892256
Astilbin,5TMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O3679.1Semi standard non polar33892256
Astilbin,5TMS,isomer #10C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3644.6Semi standard non polar33892256
Astilbin,5TMS,isomer #11C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3668.6Semi standard non polar33892256
Astilbin,5TMS,isomer #12C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3670.8Semi standard non polar33892256
Astilbin,5TMS,isomer #13C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3681.3Semi standard non polar33892256
Astilbin,5TMS,isomer #14C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3650.5Semi standard non polar33892256
Astilbin,5TMS,isomer #15C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3650.5Semi standard non polar33892256
Astilbin,5TMS,isomer #16C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3655.1Semi standard non polar33892256
Astilbin,5TMS,isomer #17C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3651.2Semi standard non polar33892256
Astilbin,5TMS,isomer #18C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3657.2Semi standard non polar33892256
Astilbin,5TMS,isomer #19C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3633.2Semi standard non polar33892256
Astilbin,5TMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O3690.0Semi standard non polar33892256
Astilbin,5TMS,isomer #20C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3632.4Semi standard non polar33892256
Astilbin,5TMS,isomer #21C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3632.3Semi standard non polar33892256
Astilbin,5TMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C3706.1Semi standard non polar33892256
Astilbin,5TMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3671.2Semi standard non polar33892256
Astilbin,5TMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3672.3Semi standard non polar33892256
Astilbin,5TMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3688.4Semi standard non polar33892256
Astilbin,5TMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3673.0Semi standard non polar33892256
Astilbin,5TMS,isomer #8C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3669.7Semi standard non polar33892256
Astilbin,5TMS,isomer #9C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3688.9Semi standard non polar33892256
Astilbin,6TMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O3673.9Semi standard non polar33892256
Astilbin,6TMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C3656.8Semi standard non polar33892256
Astilbin,6TMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3682.8Semi standard non polar33892256
Astilbin,6TMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3649.6Semi standard non polar33892256
Astilbin,6TMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3652.0Semi standard non polar33892256
Astilbin,6TMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3655.7Semi standard non polar33892256
Astilbin,6TMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C3651.9Semi standard non polar33892256
Astilbin,1TBDMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O4128.8Semi standard non polar33892256
Astilbin,1TBDMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O4175.7Semi standard non polar33892256
Astilbin,1TBDMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O4119.9Semi standard non polar33892256
Astilbin,1TBDMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O4136.5Semi standard non polar33892256
Astilbin,1TBDMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4141.7Semi standard non polar33892256
Astilbin,1TBDMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4137.5Semi standard non polar33892256
Astilbin,1TBDMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4157.0Semi standard non polar33892256
Astilbin,2TBDMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O4261.1Semi standard non polar33892256
Astilbin,2TBDMS,isomer #10C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4263.4Semi standard non polar33892256
Astilbin,2TBDMS,isomer #11C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4290.4Semi standard non polar33892256
Astilbin,2TBDMS,isomer #12C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O4240.8Semi standard non polar33892256
Astilbin,2TBDMS,isomer #13C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4215.8Semi standard non polar33892256
Astilbin,2TBDMS,isomer #14C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4209.9Semi standard non polar33892256
Astilbin,2TBDMS,isomer #15C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4230.9Semi standard non polar33892256
Astilbin,2TBDMS,isomer #16C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4225.7Semi standard non polar33892256
Astilbin,2TBDMS,isomer #17C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4218.4Semi standard non polar33892256
Astilbin,2TBDMS,isomer #18C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4247.2Semi standard non polar33892256
Astilbin,2TBDMS,isomer #19C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4226.2Semi standard non polar33892256
Astilbin,2TBDMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O4283.3Semi standard non polar33892256
Astilbin,2TBDMS,isomer #20C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4247.8Semi standard non polar33892256
Astilbin,2TBDMS,isomer #21C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4240.2Semi standard non polar33892256
Astilbin,2TBDMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O4265.0Semi standard non polar33892256
Astilbin,2TBDMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4235.5Semi standard non polar33892256
Astilbin,2TBDMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4225.5Semi standard non polar33892256
Astilbin,2TBDMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4256.9Semi standard non polar33892256
Astilbin,2TBDMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O4283.9Semi standard non polar33892256
Astilbin,2TBDMS,isomer #8C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O4270.3Semi standard non polar33892256
Astilbin,2TBDMS,isomer #9C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4275.4Semi standard non polar33892256
Astilbin,3TBDMS,isomer #1C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O4447.7Semi standard non polar33892256
Astilbin,3TBDMS,isomer #10C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4400.9Semi standard non polar33892256
Astilbin,3TBDMS,isomer #11C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4408.7Semi standard non polar33892256
Astilbin,3TBDMS,isomer #12C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4415.3Semi standard non polar33892256
Astilbin,3TBDMS,isomer #13C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4294.0Semi standard non polar33892256
Astilbin,3TBDMS,isomer #14C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4307.0Semi standard non polar33892256
Astilbin,3TBDMS,isomer #15C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4299.3Semi standard non polar33892256
Astilbin,3TBDMS,isomer #16C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O4396.9Semi standard non polar33892256
Astilbin,3TBDMS,isomer #17C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4363.4Semi standard non polar33892256
Astilbin,3TBDMS,isomer #18C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4378.2Semi standard non polar33892256
Astilbin,3TBDMS,isomer #19C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4380.0Semi standard non polar33892256
Astilbin,3TBDMS,isomer #2C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O4434.6Semi standard non polar33892256
Astilbin,3TBDMS,isomer #20C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4359.1Semi standard non polar33892256
Astilbin,3TBDMS,isomer #21C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4371.1Semi standard non polar33892256
Astilbin,3TBDMS,isomer #22C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4374.9Semi standard non polar33892256
Astilbin,3TBDMS,isomer #23C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4319.6Semi standard non polar33892256
Astilbin,3TBDMS,isomer #24C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4332.0Semi standard non polar33892256
Astilbin,3TBDMS,isomer #25C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4328.3Semi standard non polar33892256
Astilbin,3TBDMS,isomer #26C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4321.8Semi standard non polar33892256
Astilbin,3TBDMS,isomer #27C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4325.4Semi standard non polar33892256
Astilbin,3TBDMS,isomer #28C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4336.6Semi standard non polar33892256
Astilbin,3TBDMS,isomer #29C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4296.2Semi standard non polar33892256
Astilbin,3TBDMS,isomer #3C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4331.2Semi standard non polar33892256
Astilbin,3TBDMS,isomer #30C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4307.5Semi standard non polar33892256
Astilbin,3TBDMS,isomer #31C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4303.0Semi standard non polar33892256
Astilbin,3TBDMS,isomer #32C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4297.6Semi standard non polar33892256
Astilbin,3TBDMS,isomer #33C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4315.5Semi standard non polar33892256
Astilbin,3TBDMS,isomer #34C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4310.0Semi standard non polar33892256
Astilbin,3TBDMS,isomer #35C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O)C=C3O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4298.3Semi standard non polar33892256
Astilbin,3TBDMS,isomer #4C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4329.3Semi standard non polar33892256
Astilbin,3TBDMS,isomer #5C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(C=C(O[Si](C)(C)C(C)(C)C)C=C3O[Si](C)(C)C(C)(C)C)O[C@@H]2C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4356.4Semi standard non polar33892256
Astilbin,3TBDMS,isomer #6C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)[C@H](O)[C@H](O)[C@H]1O4423.6Semi standard non polar33892256
Astilbin,3TBDMS,isomer #7C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4412.6Semi standard non polar33892256
Astilbin,3TBDMS,isomer #8C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4423.1Semi standard non polar33892256
Astilbin,3TBDMS,isomer #9C[C@@H]1O[C@@H](O[C@H]2C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O[C@@H]2C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4429.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Astilbin GC-MS (Non-derivatized) - 70eV, Positivesplash10-053i-9202300000-af284319f9f7daef65632017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Astilbin GC-MS (3 TMS) - 70eV, Positivesplash10-0udj-9400018000-46752fa654776148b6952017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Astilbin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Astilbin , negative-QTOFsplash10-0udj-0931000000-d3051bed4ea8c591959b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Astilbin , negative-QTOFsplash10-0udi-0941200000-7752c995c6f2cbdea0b42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Astilbin , positive-QTOFsplash10-0abi-4973000000-4834cf38b559208d69ef2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 10V, Positive-QTOFsplash10-0pb9-0339800000-cf9f21b3c745b539fb5d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 20V, Positive-QTOFsplash10-0a4r-0967100000-0aa725c6044e8b4d50e42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 40V, Positive-QTOFsplash10-000i-1921000000-a6239f11b462739244cc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 10V, Negative-QTOFsplash10-0f6t-2316900000-d0ae694f24bb821e34902016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 20V, Negative-QTOFsplash10-0udi-2938200000-836dd24906777ec601ff2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 40V, Negative-QTOFsplash10-0zg0-3911000000-5af2480f5105a4d92d052016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 10V, Negative-QTOFsplash10-0002-0000900000-6ceaa319f9881ee204c62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 20V, Negative-QTOFsplash10-0f6t-0900800000-ebd5867b430004ca20152021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 40V, Negative-QTOFsplash10-0002-0591000000-2a8003bf40887330b9a02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 10V, Positive-QTOFsplash10-0udi-0000900000-544f8fdc0eff0e723cdc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 20V, Positive-QTOFsplash10-0udi-0900400000-2e68a2d554ff6a2f382e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Astilbin 40V, Positive-QTOFsplash10-0udi-0920000000-1208f4cb8a69aece80382021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-21Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-21Wishart 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 ID116
FooDB IDFDB012030
KNApSAcK IDC00008703
Chemspider ID106533
KEGG Compound IDC17449
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAstilbin
METLIN IDNot Available
PubChem Compound119258
PDB IDNot Available
ChEBI ID38200
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1838821
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.. .