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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 20:35:49 UTC

Update Date

2022-03-07 02:54:34 UTC

HMDB ID

HMDB0035588

Secondary Accession Numbers

HMDB35588

Metabolite Identification

Common Name

Luteolin 7-glucoside

Description

Luteolin 7-glucoside, also known as 7-glucoluteolin or cinaroside, belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Thus, luteolin 7-glucoside is considered to be a flavonoid. Luteolin 7-glucoside is found, on average, in the highest concentration within a few different foods, such as mexican oreganos (Lippia graveolens), anises (Pimpinella anisum), and wild celeries (Apium graveolens) and in a lower concentration in olives (Olea europaea), celery leaves (Apium graveolens var. secalinum), and lentils (Lens culinaris). Luteolin 7-glucoside has also been detected, but not quantified in, several different foods, such as hard wheats (Triticum durum), rice (Oryza sativa), prairie turnips (Pediomelum esculentum), common sages (Salvia officinalis), and green bell peppers (Capsicum annuum). This could make luteolin 7-glucoside a potential biomarker for the consumption of these foods. Luteolin 7-glucoside is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Luteolin 7-glucoside.

Structure

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

  Mrv1652309272007272D          

 32 35  0  0  0  0            999 V2000
10001.0655 9998.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.635710000.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.635710002.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6409 9998.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.214110000.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7852 9998.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.0707 9997.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.785210001.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.354210000.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3542 9999.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.784510000.8252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.070010000.4127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.0700 9999.5876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.7845 9999.1752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.4990 9999.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.499010000.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.207010002.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.492610001.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.492610000.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.207010000.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.921510000.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.921510001.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.641210000.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.926610000.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9266 9999.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6411 9999.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.066710000.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.352210000.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3522 9999.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0667 9999.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7812 9999.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.781210000.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  5  1  6  0  0  0
 14  6  1  6  0  0  0
 13 10  1  1  0  0  0
 12  9  1  6  0  0  0
 11  8  1  1  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21  2  1  0  0  0  0
 22  3  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 24  5  1  0  0  0  0
 26  4  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
  1 30  2  0  0  0  0
 32 19  1  0  0  0  0
 28 23  2  0  0  0  0
 26 29  2  0  0  0  0
M  END

HMDB0035588
     RDKit          3D
Luteolin 7-glucoside
 52 55  0  0  0  0  0  0  0  0999 V2000
    1.9431   -0.4551    4.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088   -0.2638    3.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5068    0.0224    2.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8476    0.2413    1.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1964    0.5444    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2964    0.5955    1.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    0.8954    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7791    1.1675   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0502    1.4710   -0.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820    1.1204   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787    1.3919   -2.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4076    0.8201   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8732    0.1667    0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.1028    0.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -0.1480   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.4185    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509   -0.4615   -1.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173   -0.7031   -0.9600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4015   -1.3467   -2.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7609   -1.4890   -2.1124 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3236   -0.8710   -3.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7110   -1.0508   -3.3926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5301   -0.9104   -0.9739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6852   -1.8227    0.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0035    0.4129   -0.4700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8295    1.4719   -0.8317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5994    0.6858   -0.9153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8779    1.4200    0.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989   -0.6363    1.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0927   -0.5997    2.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213   -0.8274    3.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336   -0.3256    2.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.0711    3.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1732    0.3878    2.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4371    0.9308    1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8510    1.5058    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7416    1.6179   -2.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    0.7790   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911    0.0293   -1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1444   -1.2183    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0740   -2.5743   -2.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1358    0.2126   -3.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9416   -1.4118   -4.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1909   -0.1811   -3.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5780   -0.7168   -1.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5350   -1.6015    0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0603    0.3759    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7900    1.2414   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5279    1.1030   -1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    1.1562    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0197   -0.8508    1.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987   -0.8513    4.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 16 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32  2  1  0
 12  5  1  0
 32 14  1  0
 27 18  1  0
  3 33  1  0
  6 34  1  0
  7 35  1  0
  9 36  1  0
 11 37  1  0
 12 38  1  0
 15 39  1  0
 18 40  1  1
 20 41  1  6
 21 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  6
 24 46  1  0
 25 47  1  1
 26 48  1  0
 27 49  1  6
 28 50  1  0
 29 51  1  0
 31 52  1  0
M  END

  Mrv1652309272007272D          

 32 35  0  0  0  0            999 V2000
10001.0655 9998.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.635710000.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.635710002.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6409 9998.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.214110000.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7852 9998.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.0707 9997.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.785210001.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.354210000.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.3542 9999.1760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.784510000.8252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.070010000.4127    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.0700 9999.5876    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9996.7845 9999.1752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.4990 9999.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.499010000.4127    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.207010002.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.492610001.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.492610000.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.207010000.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.921510000.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.921510001.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.641210000.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.926610000.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9266 9999.5842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6411 9999.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.066710000.8217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.352210000.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3522 9999.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0667 9999.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7812 9999.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.781210000.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  5  1  6  0  0  0
 14  6  1  6  0  0  0
 13 10  1  1  0  0  0
 12  9  1  6  0  0  0
 11  8  1  1  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 17  1  0  0  0  0
 21  2  1  0  0  0  0
 22  3  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 24  5  1  0  0  0  0
 26  4  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  0  0  0  0
  1 30  2  0  0  0  0
 32 19  1  0  0  0  0
 28 23  2  0  0  0  0
 26 29  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035588

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1

> <INCHI_KEY>
PEFNSGRTCBGNAN-QNDFHXLGSA-N

> <FORMULA>
C21H20O11

> <MOLECULAR_WEIGHT>
448.3769

> <EXACT_MASS>
448.100561482

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
42.98453166897848

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
0.58

> <JCHEM_LOGP>
0.1350557186666665

> <ALOGPS_LOGS>
-2.62

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.720961662761638

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.296801688115588

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092343758667

> <JCHEM_POLAR_SURFACE_AREA>
186.37

> <JCHEM_REFRACTIVITY>
107.0392

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.08e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
luteolin 7-O-glucoside

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0035588
     RDKit          3D
Luteolin 7-glucoside
 52 55  0  0  0  0  0  0  0  0999 V2000
    1.9431   -0.4551    4.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088   -0.2638    3.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5068    0.0224    2.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8476    0.2413    1.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1964    0.5444    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2964    0.5955    1.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    0.8954    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7791    1.1675   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0502    1.4710   -0.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820    1.1204   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787    1.3919   -2.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4076    0.8201   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8732    0.1667    0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.1028    0.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -0.1480   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.4185    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509   -0.4615   -1.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173   -0.7031   -0.9600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4015   -1.3467   -2.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7609   -1.4890   -2.1124 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3236   -0.8710   -3.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7110   -1.0508   -3.3926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5301   -0.9104   -0.9739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6852   -1.8227    0.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0035    0.4129   -0.4700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8295    1.4719   -0.8317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5994    0.6858   -0.9153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8779    1.4200    0.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989   -0.6363    1.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0927   -0.5997    2.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213   -0.8274    3.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336   -0.3256    2.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.0711    3.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1732    0.3878    2.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4371    0.9308    1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8510    1.5058    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7416    1.6179   -2.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    0.7790   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911    0.0293   -1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1444   -1.2183    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0740   -2.5743   -2.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1358    0.2126   -3.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9416   -1.4118   -4.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1909   -0.1811   -3.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5780   -0.7168   -1.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5350   -1.6015    0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0603    0.3759    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7900    1.2414   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5279    1.1030   -1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    1.1562    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0197   -0.8508    1.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987   -0.8513    4.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 16 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32  2  1  0
 12  5  1  0
 32 14  1  0
 27 18  1  0
  3 33  1  0
  6 34  1  0
  7 35  1  0
  9 36  1  0
 11 37  1  0
 12 38  1  0
 15 39  1  0
 18 40  1  1
 20 41  1  6
 21 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  6
 24 46  1  0
 25 47  1  1
 26 48  1  0
 27 49  1  6
 28 50  1  0
 29 51  1  0
 31 52  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0    8668.6568663.569   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8675.3208667.437   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8675.3208670.517   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8665.9968663.569   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8663.3338668.207   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    8660.6668663.589   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8659.3328662.816   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8660.6668669.747   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8657.9958668.207   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8657.9958665.129   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    8660.6648668.207   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8659.3318667.437   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8659.3318665.897   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8660.6648665.127   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0    8661.9988665.897   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0    8661.9988667.437   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8672.6538670.517   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8671.3208669.747   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8671.3208668.206   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8672.6538667.436   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8673.9878668.206   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8673.9878669.747   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8665.9978668.201   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8664.6638667.430   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8664.6638665.891   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8665.9978665.121   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0    8668.6588668.201   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0    8667.3248667.431   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8667.3248665.890   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0    8668.6588665.121   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0    8669.9928665.890   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0    8669.9928667.431   0.000  0.00  0.00           C+0
CONECT    1   30                                                            
CONECT    2   21                                                            
CONECT    3   22                                                            
CONECT    4   26                                                            
CONECT    5   16   24                                                       
CONECT    6    7   14                                                       
CONECT    7    6                                                            
CONECT    8   11                                                            
CONECT    9   12                                                            
CONECT   10   13                                                            
CONECT   11   12   16    8                                                  
CONECT   12   11   13    9                                                  
CONECT   13   12   14   10                                                  
CONECT   14   13   15    6                                                  
CONECT   15   14   16                                                       
CONECT   16   11   15    5                                                  
CONECT   17   18   22                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   32                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22    2                                                  
CONECT   22   21   17    3                                                  
CONECT   23   24   28                                                       
CONECT   24   23   25    5                                                  
CONECT   25   24   26                                                       
CONECT   26   25    4   29                                                  
CONECT   27   28   32                                                       
CONECT   28   29   27   23                                                  
CONECT   29   28   30   26                                                  
CONECT   30   29   31    1                                                  
CONECT   31   30   32                                                       
CONECT   32   31   27   19                                                  
MASTER        0    0    0    0    0    0    0    0   32    0   70    0
END

COMPND    HMDB0035588
HETATM    1  O1  UNL     1       1.943  -0.455   4.296  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.209  -0.264   3.096  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.507   0.022   2.677  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.848   0.241   1.366  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.196   0.544   0.908  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.296   0.596   1.716  1.00  0.00           C  
HETATM    7  C6  UNL     1       7.578   0.895   1.287  1.00  0.00           C  
HETATM    8  C7  UNL     1       7.779   1.168  -0.062  1.00  0.00           C  
HETATM    9  O2  UNL     1       9.050   1.471  -0.520  1.00  0.00           O  
HETATM   10  C8  UNL     1       6.682   1.120  -0.892  1.00  0.00           C  
HETATM   11  O3  UNL     1       6.879   1.392  -2.249  1.00  0.00           O  
HETATM   12  C9  UNL     1       5.408   0.820  -0.454  1.00  0.00           C  
HETATM   13  O4  UNL     1       2.873   0.167   0.501  1.00  0.00           O  
HETATM   14  C10 UNL     1       1.610  -0.103   0.827  1.00  0.00           C  
HETATM   15  C11 UNL     1       0.680  -0.148  -0.222  1.00  0.00           C  
HETATM   16  C12 UNL     1      -0.650  -0.418   0.018  1.00  0.00           C  
HETATM   17  O5  UNL     1      -1.551  -0.461  -1.010  1.00  0.00           O  
HETATM   18  C13 UNL     1      -2.917  -0.703  -0.960  1.00  0.00           C  
HETATM   19  O6  UNL     1      -3.402  -1.347  -2.064  1.00  0.00           O  
HETATM   20  C14 UNL     1      -4.761  -1.489  -2.112  1.00  0.00           C  
HETATM   21  C15 UNL     1      -5.324  -0.871  -3.399  1.00  0.00           C  
HETATM   22  O7  UNL     1      -6.711  -1.051  -3.393  1.00  0.00           O  
HETATM   23  C16 UNL     1      -5.530  -0.910  -0.974  1.00  0.00           C  
HETATM   24  O8  UNL     1      -5.685  -1.823   0.085  1.00  0.00           O  
HETATM   25  C17 UNL     1      -5.004   0.413  -0.470  1.00  0.00           C  
HETATM   26  O9  UNL     1      -5.829   1.472  -0.832  1.00  0.00           O  
HETATM   27  C18 UNL     1      -3.599   0.686  -0.915  1.00  0.00           C  
HETATM   28  O10 UNL     1      -2.878   1.420   0.022  1.00  0.00           O  
HETATM   29  C19 UNL     1      -0.999  -0.636   1.319  1.00  0.00           C  
HETATM   30  C20 UNL     1      -0.093  -0.600   2.398  1.00  0.00           C  
HETATM   31  O11 UNL     1      -0.521  -0.827   3.661  1.00  0.00           O  
HETATM   32  C21 UNL     1       1.234  -0.326   2.124  1.00  0.00           C  
HETATM   33  H1  UNL     1       4.272   0.071   3.429  1.00  0.00           H  
HETATM   34  H2  UNL     1       6.173   0.388   2.783  1.00  0.00           H  
HETATM   35  H3  UNL     1       8.437   0.931   1.935  1.00  0.00           H  
HETATM   36  H4  UNL     1       9.851   1.506   0.095  1.00  0.00           H  
HETATM   37  H5  UNL     1       7.742   1.618  -2.681  1.00  0.00           H  
HETATM   38  H6  UNL     1       4.541   0.779  -1.087  1.00  0.00           H  
HETATM   39  H7  UNL     1       0.991   0.029  -1.232  1.00  0.00           H  
HETATM   40  H8  UNL     1      -3.144  -1.218   0.015  1.00  0.00           H  
HETATM   41  H9  UNL     1      -5.074  -2.574  -2.194  1.00  0.00           H  
HETATM   42  H10 UNL     1      -5.136   0.213  -3.442  1.00  0.00           H  
HETATM   43  H11 UNL     1      -4.942  -1.412  -4.281  1.00  0.00           H  
HETATM   44  H12 UNL     1      -7.191  -0.181  -3.351  1.00  0.00           H  
HETATM   45  H13 UNL     1      -6.578  -0.717  -1.344  1.00  0.00           H  
HETATM   46  H14 UNL     1      -6.535  -1.602   0.538  1.00  0.00           H  
HETATM   47  H15 UNL     1      -5.060   0.376   0.657  1.00  0.00           H  
HETATM   48  H16 UNL     1      -6.790   1.241  -0.771  1.00  0.00           H  
HETATM   49  H17 UNL     1      -3.528   1.103  -1.914  1.00  0.00           H  
HETATM   50  H18 UNL     1      -3.228   1.156   0.915  1.00  0.00           H  
HETATM   51  H19 UNL     1      -2.020  -0.851   1.597  1.00  0.00           H  
HETATM   52  H20 UNL     1      -0.099  -0.851   4.517  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   32
CONECT    3    4    4   33
CONECT    4    5   13
CONECT    5    6    6   12
CONECT    6    7   34
CONECT    7    8    8   35
CONECT    8    9   10
CONECT    9   36
CONECT   10   11   12   12
CONECT   11   37
CONECT   12   38
CONECT   13   14
CONECT   14   15   15   32
CONECT   15   16   39
CONECT   16   17   29   29
CONECT   17   18
CONECT   18   19   27   40
CONECT   19   20
CONECT   20   21   23   41
CONECT   21   22   42   43
CONECT   22   44
CONECT   23   24   25   45
CONECT   24   46
CONECT   25   26   27   47
CONECT   26   48
CONECT   27   28   49
CONECT   28   50
CONECT   29   30   51
CONECT   30   31   32   32
CONECT   31   52
END

HMDB0035588
     RDKit          3D
Luteolin 7-glucoside
 52 55  0  0  0  0  0  0  0  0999 V2000
    1.9431   -0.4551    4.2962 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2088   -0.2638    3.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5068    0.0224    2.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8476    0.2413    1.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1964    0.5444    0.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2964    0.5955    1.7162 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    0.8954    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7791    1.1675   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0502    1.4710   -0.5205 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6820    1.1204   -0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787    1.3919   -2.2486 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4076    0.8201   -0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8732    0.1667    0.5015 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6103   -0.1028    0.8266 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -0.1480   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500   -0.4185    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5509   -0.4615   -1.0098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173   -0.7031   -0.9600 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4015   -1.3467   -2.0641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7609   -1.4890   -2.1124 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3236   -0.8710   -3.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7110   -1.0508   -3.3926 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5301   -0.9104   -0.9739 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6852   -1.8227    0.0854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0035    0.4129   -0.4700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8295    1.4719   -0.8317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5994    0.6858   -0.9153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8779    1.4200    0.0218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989   -0.6363    1.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0927   -0.5997    2.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5213   -0.8274    3.6607 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2336   -0.3256    2.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2721    0.0711    3.4293 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1732    0.3878    2.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4371    0.9308    1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8510    1.5058    0.0946 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7416    1.6179   -2.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408    0.7790   -1.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911    0.0293   -1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1444   -1.2183    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0740   -2.5743   -2.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1358    0.2126   -3.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9416   -1.4118   -4.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1909   -0.1811   -3.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5780   -0.7168   -1.3441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5350   -1.6015    0.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0603    0.3759    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7900    1.2414   -0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5279    1.1030   -1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2284    1.1562    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0197   -0.8508    1.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987   -0.8513    4.5174 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
  4 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 16 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32  2  1  0
 12  5  1  0
 32 14  1  0
 27 18  1  0
  3 33  1  0
  6 34  1  0
  7 35  1  0
  9 36  1  0
 11 37  1  0
 12 38  1  0
 15 39  1  0
 18 40  1  1
 20 41  1  6
 21 42  1  0
 21 43  1  0
 22 44  1  0
 23 45  1  6
 24 46  1  0
 25 47  1  1
 26 48  1  0
 27 49  1  6
 28 50  1  0
 29 51  1  0
 31 52  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside	ChEBI
2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	ChEBI
7-Glucoluteolin	ChEBI
7-Glucosylluteolin	ChEBI
7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone	ChEBI
Cinaroside	ChEBI
Cynaroside	ChEBI
Luteolin 7-monoglucoside	ChEBI
Luteolin 7-O-glucopyranoside	ChEBI
Luteolin 7-O-glucoside	ChEBI
Luteolin-7-glucoside	ChEBI
Luteoloside	ChEBI
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl b-D-glucopyranoside	Generator
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside	Generator
2-(3,4-Dihydroxyphenyl)-7-(b-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	Generator
2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one	Generator
7-O-b-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone	Generator
7-O-Β-D-glucosyl-5,7,3',4'-tetrahydroxyflavone	Generator
Luteolin 7-glucoside	ChEBI
Daphneflavonoloside	HMDB
Flavopurposide	HMDB
Glucoluteolin	HMDB
Luteolin 7-O-beta-D-glucoside	HMDB
Luteolin 7-O-b-D-glucoside	Generator
Luteolin 7-O-β-D-glucoside	Generator
Nephrocizin	MeSH
Luteolin-7-O-monoglucoside	MeSH
Luteolin-7-O-beta-D-glucopyranoside	MeSH
Luteolin-7-beta-D-glucoside	MeSH
3',4',5,7-Tetrahydroxyflavone 7-beta-D-glucopyranoside	PhytoBank
3',4',5,7-Tetrahydroxyflavone 7-β-D-glucopyranoside	PhytoBank
3’,4’,5,7-Tetrahydroxyflavone 7-β-D-glucopyranoside	PhytoBank
3',4',5-Trihydroxyflavone 7-O-beta-D-glucopyranoside	PhytoBank
3',4',5-Trihydroxyflavone 7-O-β-D-glucopyranoside	PhytoBank
3’,4’,5-Trihydroxyflavone 7-O-β-D-glucopyranoside	PhytoBank
7-(beta-D-Glucosyloxy)-3',4',5-trihydroxyflavone	PhytoBank
7-(β-D-Glucosyloxy)-3',4',5-trihydroxyflavone	PhytoBank
7-(β-D-Glucosyloxy)-3’,4’,5-trihydroxyflavone	PhytoBank
7-O-beta-D-Glucosylluteolin	PhytoBank
7-O-β-D-Glucosylluteolin	PhytoBank
Luteolin 7-O-beta-D-glucopyranoside	PhytoBank
Luteolin 7-O-β-D-glucopyranoside	PhytoBank
Luteolin 7-O-beta-glucopyranoside	PhytoBank
Luteolin 7-O-β-glucopyranoside	PhytoBank
Luteolin 7-O-beta-glucoside	PhytoBank
Luteolin 7-O-β-glucoside	PhytoBank
Luteolin 7-beta-D-glucoside	PhytoBank
Luteolin 7-β-D-glucoside	PhytoBank

Chemical Formula

C₂₁H₂₀O₁₁

Average Molecular Weight

448.3769

Monoisotopic Molecular Weight

448.100561482

IUPAC Name

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

luteolin 7-O-glucoside

CAS Registry Number

5373-11-5

SMILES

OC[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1

InChI Key

PEFNSGRTCBGNAN-QNDFHXLGSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Pyran
Oxane
Monocyclic benzene moiety
Benzenoid
Monosaccharide
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Alcohol
Primary alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

beta-D-glucoside (CHEBI:27994 )
monosaccharide derivative (CHEBI:27994 )
glycosyloxyflavone (CHEBI:27994 )
trihydroxyflavone (CHEBI:27994 )
flavones (C03951 )
Flavones and Flavonols (C03951 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0035588)
Cytoplasm (HMDB: HMDB0035588)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0035588)

Source

Exogenous

Exogenous (HMDB: HMDB0035588)

Food

Food (HMDB: HMDB0035588)

Vegetable

Shoot vegetable

Globe artichoke (FooDB: FOOD00071)

Root vegetable

Fruit vegetable

Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Orange bell pepper (FooDB: FOOD00879)

Tuber

Potato (FooDB: FOOD00175)

Other vegetable

Sacred lotus (FooDB: FOOD00402)

Cereal and cereal product

Cereal

Cereal product

Cereals and cereal products (FooDB: FOOD00858)

Soy

Soy bean (FooDB: FOOD00085)

Herb and spice

Herb

Spice

Wild celery (FooDB: FOOD00015)
Cumin (FooDB: FOOD00067)

Oilseed crop

Safflower (FooDB: FOOD00042)

Other seed

Quinoa (FooDB: FOOD00441)

Herbs and Spices (FooDB: FOOD00866)

Pulse

Lentil

Lentils (FooDB: FOOD00098)

Fruit

Pome

Pear (FooDB: FOOD00152)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Not Available

EC 1.1.1.21 (aldehyde reductase) inhibitor (HMDB: HMDB0035588)

Enzyme inhibitor

Deiodinase inhibitor (HMDB: HMDB0035588)

Industrial application

Manufacturing industry

Material processing agent

Solid material processing agent

Protective agent

Antioxidant (HMDB: HMDB0035588)
Antioxidant (HMDB: HMDB0035588)

Antiviral agent (HMDB: HMDB0035588)

Pharmaceutical industry

Antineoplastic agent

Cancer preventive (HMDB: HMDB0035588)

Agriculture

Pesticide (HMDB: HMDB0035588)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	256 - 258 °C	Not Available
Boiling Point	838.10 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	2888 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	-0.090 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.08 g/L	ALOGPS
logP	0.58	ALOGPS
logP	0.14	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	7.3	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.37 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	107.04 m³·mol⁻¹	ChemAxon
Polarizability	42.98 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	201.638	31661259
DarkChem	[M-H]-	199.003	31661259
DeepCCS	[M+H]+	193.348	30932474
DeepCCS	[M-H]-	190.952	30932474
DeepCCS	[M-2H]-	224.287	30932474
DeepCCS	[M+Na]+	199.236	30932474
AllCCS	[M+H]+	202.8	32859911
AllCCS	[M+H-H2O]+	200.4	32859911
AllCCS	[M+NH4]+	205.0	32859911
AllCCS	[M+Na]+	205.6	32859911
AllCCS	[M-H]-	199.2	32859911
AllCCS	[M+Na-2H]-	199.6	32859911
AllCCS	[M+HCOO]-	200.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 7-glucoside	OC[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	5468.0	Standard polar	33892256
Luteolin 7-glucoside	OC[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	4223.4	Standard non polar	33892256
Luteolin 7-glucoside	OC[C@H]1O[C@@H](OC2=CC3=C(C(O)=C2)C(=O)C=C(O3)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O	4403.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Luteolin 7-glucoside,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4353.8	Semi standard non polar	33892256
Luteolin 7-glucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4381.0	Semi standard non polar	33892256
Luteolin 7-glucoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4449.3	Semi standard non polar	33892256
Luteolin 7-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4417.6	Semi standard non polar	33892256
Luteolin 7-glucoside,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@@H](O)[C@@H]1O	4397.1	Semi standard non polar	33892256
Luteolin 7-glucoside,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@H]1O	4376.7	Semi standard non polar	33892256
Luteolin 7-glucoside,1TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O	4361.4	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4196.5	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4301.8	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4280.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4231.4	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O	4239.4	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4259.5	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4233.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4205.5	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	4204.3	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4229.6	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@@H]1CO	4220.8	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4232.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@H]1O	4242.4	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C	4209.4	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4208.7	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4230.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4207.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4219.7	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4202.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4211.0	Semi standard non polar	33892256
Luteolin 7-glucoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4227.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4122.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4061.4	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4037.7	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4073.0	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4105.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4146.7	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4111.6	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #16	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4078.3	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4085.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4144.6	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #19	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4136.6	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4102.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #20	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4109.2	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O	4152.3	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	4138.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4142.9	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4136.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4183.3	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O	4055.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4063.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4094.4	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4094.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4092.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4085.0	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4103.3	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	4047.9	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4054.2	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4083.6	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #35	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C	4099.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4064.4	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4098.4	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4068.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4077.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4058.9	Semi standard non polar	33892256
Luteolin 7-glucoside,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4091.1	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4061.0	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4034.4	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4013.7	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3985.5	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4024.1	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4003.3	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4025.3	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4011.8	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3992.0	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4006.0	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4001.2	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4048.8	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4123.9	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #21	C[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4039.5	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O	4070.5	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #23	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	4065.4	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4073.9	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #25	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4062.9	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4097.7	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4081.0	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #28	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4076.6	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4098.5	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4037.8	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4090.6	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4014.3	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4013.4	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4009.7	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4031.0	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #35	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4009.1	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4059.5	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4033.3	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4020.0	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4043.3	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4029.6	Semi standard non polar	33892256
Luteolin 7-glucoside,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4048.5	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4031.6	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4042.4	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4004.3	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4012.9	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4013.3	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4033.1	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4024.4	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O	4059.4	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #17	C[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)=CC=C1O	4058.0	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C	4060.5	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #19	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4050.2	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4013.9	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4067.0	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4031.2	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4041.9	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4028.5	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4038.1	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4045.0	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4019.8	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4027.3	Semi standard non polar	33892256
Luteolin 7-glucoside,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4034.9	Semi standard non polar	33892256
Luteolin 7-glucoside,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4022.9	Semi standard non polar	33892256
Luteolin 7-glucoside,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4023.1	Semi standard non polar	33892256
Luteolin 7-glucoside,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4036.3	Semi standard non polar	33892256
Luteolin 7-glucoside,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4049.5	Semi standard non polar	33892256
Luteolin 7-glucoside,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4046.4	Semi standard non polar	33892256
Luteolin 7-glucoside,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4050.5	Semi standard non polar	33892256
Luteolin 7-glucoside,6TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)C=C3O2)C=C1O[Si](C)(C)C	4054.9	Semi standard non polar	33892256
Luteolin 7-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4649.8	Semi standard non polar	33892256
Luteolin 7-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4651.6	Semi standard non polar	33892256
Luteolin 7-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4703.4	Semi standard non polar	33892256
Luteolin 7-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4656.9	Semi standard non polar	33892256
Luteolin 7-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@@H](O)[C@@H]1O	4662.1	Semi standard non polar	33892256
Luteolin 7-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@H]1O	4645.8	Semi standard non polar	33892256
Luteolin 7-glucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O	4637.0	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4704.5	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4808.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4763.8	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4742.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O	4747.0	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4747.5	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4733.0	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4704.8	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	4705.5	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4710.0	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@@H]1CO	4717.0	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4756.4	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@H]1O	4739.7	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4704.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4713.9	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4734.9	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4699.6	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4723.1	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4700.4	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4692.3	Semi standard non polar	33892256
Luteolin 7-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4705.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4908.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4786.3	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4774.2	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4797.4	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4801.0	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4830.3	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4796.7	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4780.9	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4790.9	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O	4919.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)=CC=C1O	4870.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4854.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)C=C(C1=CC=C(O)C(O)=C1)O2	4811.6	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O	4934.6	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	4882.2	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4912.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4864.0	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4915.2	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O	4819.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4835.3	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4837.7	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O	4848.9	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4787.0	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4833.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	4829.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)C=C3O2)=CC=C1O	4785.6	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4797.2	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(C2=CC(=O)C3=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4O[Si](C)(C)C(C)(C)C)C=C3O2)=CC=C1O	4811.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	4812.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4759.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C=C(C4=CC=C(O)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4787.5	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O	4823.8	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4832.1	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4819.2	Semi standard non polar	33892256
Luteolin 7-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC2=CC(O)=C3C(=O)C=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4843.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-001r-8934600000-7e7c6044b90fb9c11463	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-glucoside GC-MS (3 TMS) - 70eV, Positive	splash10-0f72-4730119000-f82ba729f371b8abdbda	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Luteolin 7-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside ESI-TOF 10V, Negative-QTOF	splash10-0002-0010900030-c10d893db863fa97d0a8	2017-08-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside ESI-TOF 10V, Negative-QTOF	splash10-0002-0010900030-c10d893db863fa97d0a8	2017-09-12	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside DI-ESI-qTof , Positive-QTOF	splash10-000i-0090000000-f076599705f9f223d360	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside DI-ESI-qTof , Negative-QTOF	splash10-000i-0090100000-fe6850abbcec4fe56dd9	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , negative-QTOF	splash10-0012-0190500000-bcf45c556204b1713d58	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , negative-QTOF	splash10-0002-0030900020-65868b413ea8969c4672	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , negative-QTOF	splash10-0019-0090000000-0908e4e690a4acb6edfc	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , negative-QTOF	splash10-0002-0000900000-f15806fb1fd62f75af54	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , negative-QTOF	splash10-001a-0190400000-862638c136c541fb742b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside Linear Ion Trap , negative-QTOF	splash10-000i-0091000000-f63c0d3cebcf6fc2e507	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside , negative-QTOF	splash10-0002-0040900000-e3f9043e8fac7872cb66	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , positive-QTOF	splash10-000i-0090000000-1ff8e42522b8a1f6961a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , positive-QTOF	splash10-000i-0090100000-cb0df3f467ea51e6ab18	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , positive-QTOF	splash10-000j-0090600000-8f1dad507334d836e2a8	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-QTOF , positive-QTOF	splash10-000i-0190000000-e3aa1461dda1c7043d2d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside LC-ESI-ITTOF , positive-QTOF	splash10-000i-0090000000-31bb8bd03bfd2eff538b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside Linear Ion Trap , positive-QTOF	splash10-000i-0091100000-ea4c2b653cea6f474766	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside , positive-QTOF	splash10-000i-0090000000-8392154e4309f46037d5	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Luteolin 7-glucoside 40V, Negative-QTOF	splash10-0019-0090000000-a15f658ade963370f0c3	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucoside 10V, Positive-QTOF	splash10-000j-0190600000-49dfd37238ba14bc6c11	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucoside 20V, Positive-QTOF	splash10-00kr-0190000000-8733c538660a8dd11d05	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucoside 40V, Positive-QTOF	splash10-014i-1390000000-ceeece13914238abed46	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucoside 10V, Negative-QTOF	splash10-000b-1261900000-e1ec4112e692ec8fbbd6	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucoside 20V, Negative-QTOF	splash10-000i-1190100000-bcbf2a30e128889e8047	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Luteolin 7-glucoside 40V, Negative-QTOF	splash10-00ku-2190000000-954ea2eef82d3bedfb36	2016-08-04	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

LUTEOLIN-7-O-BETA-D-GLUCOSIDE

BiGG ID

Not Available

Wikipedia Link

Cynaroside

METLIN ID

Not Available

PubChem Compound

5280637

PDB ID

Not Available

ChEBI ID

27994

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1699821

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Luteolin 7-glucoside (HMDB0035588)

MOL for HMDB0035588 (Luteolin 7-glucoside)

3D MOL for HMDB0035588 (Luteolin 7-glucoside)

3D SDF for HMDB0035588 (Luteolin 7-glucoside)

3D-SDF for HMDB0035588 (Luteolin 7-glucoside)

PDB for HMDB0035588 (Luteolin 7-glucoside)

3D PDB for HMDB0035588 (Luteolin 7-glucoside)

SMILES for HMDB0035588 (Luteolin 7-glucoside)

INCHI for HMDB0035588 (Luteolin 7-glucoside)

Structure for HMDB0035588 (Luteolin 7-glucoside)

3D Structure for HMDB0035588 (Luteolin 7-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra