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Showing metabocard for Nb-trans-p-Coumaroylserotonin glucoside (HMDB0032760)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:51:37 UTC
Update Date2022-03-07 02:53:27 UTC
HMDB IDHMDB0032760
Secondary Accession Numbers
  • HMDB32760
Metabolite Identification
Common NameNb-trans-p-Coumaroylserotonin glucoside
DescriptionNb-trans-p-Coumaroylserotonin glucoside is found in fats and oils. It is an alkaloid from Carthamus tinctorius (safflower) If neurons that make serotonin serotonergic neurons are abnormal in infants, there is a risk of sudden infant death syndrome (SIDS). Low levels of serotonin may also be associated with intense spiritual experiences. In animals including humans, serotonin is synthesized from the amino acid L-tryptophan by a short metabolic pathway consisting of two enzymes: tryptophan hydroxylase (TPH) and amino acid decarboxylase (DDC). The TPH-mediated reaction is the rate-limiting step in the pathway. TPH has been shown to exist in two forms: TPH1, found in several tissues, and TPH2, which is a brain-specific isoform. There is evidence that genetic polymorphisms in both these subtypes influence susceptibility to anxiety and depression in humans.[citation needed] The 5-HTT gene regulates a chemical called serotonin. This chemical is found in very low amounts in people diagnosed with depression compared to other people. Serotonin works as a neurotransmitter and helps with the modulation of things such as anger, appetite, sexuality, sleep, mood, and several other things. People with depression often have impaired 5-HTT genes. There are two forms of the 5-HTT gene and everyone has two 5-HTT genes. (Levinson) There is a long form of 5-HTT and a short form of 5-HTT. Research shows that people with both 5-HTT genes being the long form are less likely to become depressed while people with one short and one long or two short forms are more likely to develop depression. Research is still being conducted to find more information. There is also evidence that ovarian hormones can affect the expression of TPH in various species, suggesting a possible mechanism for postpartum depression and premenstrual stress syndrome.[citation needed] Serotonin biosynthesis in plants likewise begins with L-tryptophan, which is however first decarboxylated by tryptophan decarboxylase to give tryptamine, which is then hydroxylated by the cytochrome P450 monooxygenase, tryptamine 5-hydroxylase, yielding serotonin. Serotonin is a biochemical messenger and regulator, synthesized from the essential amino acid L-Tryptophan. Serotonin in the nervous system acts as a local transmitter at synapses, and as a paracrine or hormonal modulator of circuits upon diffusion, allowing a wide variety of "state-dependent" behavioral responses to different stimuli. Serotonin is widely distributed in the nervous system of vertebrates and invertebrates and some of its behavioral effects have been preserved along evolution. Such is the case of aggressive behavior and rhythmic motor patterns , including those responsible for feeding. In vertebrates, which display a wider and much more sophisticated behavioral repertoire, serotonin also modulates sleep , the arousal state , sexual behavior, and others, and deficiencies of the serotonergic system causes disorders such as depression, obsessive-compulsive disorder, phobias, posttraumatic stress disorder, epilepsy, and generalized anxiety disorder. Serotonin has three different modes of action in the nervous system: as transmitter, acting locally at synaptic boutons; Serotonin is a monoamine neurotransmitter. It is found extensively in the gastrointestinal tract of animals, and about 80 to 90 percent of the human body's total serotonin is located in the enterochromaffin cells in the gut, where it is used to regulate intestinal movements. The remainder is synthesized in serotonergic neurons in the central nervous system (CNS) where it has various functions, including the regulation of mood, appetite, sleep, muscle contraction, and some cognitive functions including memory and learning. Serotonin levels can not be increased by diet alone. For example, increasing foods rich in tryptophan (e.g., meats, proteins) does not increase serotonin levels, due to competition with other amino acids. What is required to increase serotonin production is an increase in the ratio of tryptophan to phenylalanine and leucine. Fruits with a good ratio include dates, papaya and banana. Nb-trans-p-Coumaroylserotonin glucoside with a lower ratio inhibits the production of serotonin. These include whole wheat and rye bread. Research indicates that vigorous aerobic exercise improves mood through BDNF expression, there is however no direct evidence that this is caused by an increase in serotonin levels. Research also suggests that eating a diet rich in whole grain carbohydrates and low in protein will increase serotonin by secreting insulin, which helps in amino acid competition. However, increasing insulin for a long period of time can sometimes onset insulin resistance, which is related to obesity, type 2 diabetes, and lower serotonin levels. It is also believed that muscles use many of the amino acids except tryptophan, allowing men to have more serotonin than women. Bright light therapy may have an effect on blood serotonin levels. Nb-trans-p-Coumaroylserotonin glucoside is obtained by spending more time in natural sunlight.[citation needed] Recently, acupuncture has been shown to stimulate the release of serotonin in lab animals. upon diffusion at a distance from its release sites, producing paracrine (also called volume) effects, and by circulating in the blood stream, producing hormonal effects. The three modes can affect a single neuronal circuit. (PMID: 16047543 ).
Structure
Data?1563862303
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032760 (Nb-trans-p-Coumaroylserotonin glucoside)


  Mrv0541 02241216322D          

 35 38  0  0  0  0            999 V2000
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M  END
Download

3D MOL for HMDB0032760 (Nb-trans-p-Coumaroylserotonin glucoside)

HMDB0032760
     RDKit          3D
Nb-trans-p-Coumaroylserotonin glucoside
 63 66  0  0  0  0  0  0  0  0999 V2000
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M  END
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3D SDF for HMDB0032760 (Nb-trans-p-Coumaroylserotonin glucoside)


  Mrv0541 02241216322D          

 35 38  0  0  0  0            999 V2000
    1.5803   -0.4619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4617   -0.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3767    1.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7805    1.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5058    0.2227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8242   -1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4835   -1.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 24  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 34 35  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032760

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+

> <INCHI_KEY>
LPGWQGDUKIPAME-FPYGCLRLSA-N

> <FORMULA>
C25H28N2O8

> <MOLECULAR_WEIGHT>
484.4984

> <EXACT_MASS>
484.184565882

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
50.81639084005661

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide

> <ALOGPS_LOGP>
1.48

> <JCHEM_LOGP>
0.7895172906666659

> <ALOGPS_LOGS>
-3.32

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.200559278391237

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.419345274355273

> <JCHEM_PKA_STRONGEST_BASIC>
1.2106780087130573

> <JCHEM_POLAR_SURFACE_AREA>
164.5

> <JCHEM_REFRACTIVITY>
126.33909999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.31e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0032760 (Nb-trans-p-Coumaroylserotonin glucoside)

HMDB0032760
     RDKit          3D
Nb-trans-p-Coumaroylserotonin glucoside
 63 66  0  0  0  0  0  0  0  0999 V2000
    2.1937   -0.4984   -0.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7965   -0.0120    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1359    0.5443    0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.0873    0.9609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2136    1.6136    0.6290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9996    2.1892    1.6354 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2404    2.7043    1.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7571    2.6622    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0266    3.1990   -0.0675 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0333    2.1099   -0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7657    1.5944   -0.6215 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1865   -0.0179    1.5645 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9290   -0.5167    1.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577   -1.9607    1.8780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7055   -2.6238    0.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6706   -3.4990    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684   -3.8715   -1.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1137   -3.3021   -1.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6837   -3.3781   -2.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8441   -2.6482   -2.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424   -1.8383   -1.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4205   -1.1387   -1.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0093   -0.2843   -0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0859    0.9833   -1.2805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7332    1.9047   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8933    2.5705   -1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4234    3.2316   -2.3983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1887    1.4328    0.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1631    2.3485    1.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8066    0.0807    0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1910    0.1169    1.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3918   -0.7481   -0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3905   -2.0740    0.0574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4380   -1.7776   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2547   -2.5165   -0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5008    0.4918   -0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5670    1.1544    1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5824    2.2134    2.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8004    3.1386    2.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8695    2.6552    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4551    2.0882   -1.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2308    1.1709   -1.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7772    0.4302    2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1229    0.1042    1.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7619   -0.2346    3.0611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860   -2.4973    2.5412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3367   -2.1369    2.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5481   -3.7803    0.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7785   -4.5358   -1.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -4.0023   -3.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5185   -2.6685   -3.4949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4037   -0.2203    0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0018    2.7484   -0.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6804    1.8326   -1.5079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3735    3.3444   -0.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8767    2.8922   -3.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3406    1.5438    1.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0473    2.1609    0.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4086   -0.4385    1.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5479   -0.6386    0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0566   -0.6409   -1.1890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1609   -2.6666   -0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6853   -1.1762    0.4194 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  2  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 21 34  1  0
 34 35  2  0
 11  5  1  0
 35 15  1  0
 35 18  1  0
 32 23  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
  7 39  1  0
  9 40  1  0
 10 41  1  0
 11 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 16 48  1  0
 17 49  1  0
 19 50  1  0
 20 51  1  0
 23 52  1  0
 25 53  1  0
 26 54  1  0
 26 55  1  0
 27 56  1  0
 28 57  1  0
 29 58  1  0
 30 59  1  0
 31 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
M  END
Download

PDB for HMDB0032760 (Nb-trans-p-Coumaroylserotonin glucoside)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  N   UNK     0       2.950  -0.862   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       1.935  -2.050   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.245  -1.711   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.435  -0.019   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.581   1.335   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -0.262   2.686   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -3.475  -0.354   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.958   0.489   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.958   2.184   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.475   3.027   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.832   2.184   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.832   0.489   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -6.355  -0.354   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       4.587  -1.300   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.010  -2.884   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       6.025  -0.354   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.406  -1.037   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.739  -0.267   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.874  -0.923   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.012  -0.267   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.012   1.040   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.874   1.697   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.739   1.040   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      12.144   1.697   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -8.888  -0.775   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -8.211   0.349   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.844   1.495   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -10.154   1.516   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -10.831   0.392   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -10.195  -0.751   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -8.170   2.622   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0     -10.790   2.665   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0     -12.144   0.416   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0     -10.872  -1.877   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0     -10.236  -3.027   0.000  0.00  0.00           O+0
CONECT    1    2   14                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    9                                                       
CONECT    7    8   12                                                       
CONECT    8    4    7    9                                                  
CONECT    9    6    8   10                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12    7   11   13                                                  
CONECT   13   12   26                                                       
CONECT   14    1   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   18   22                                                       
CONECT   24   21                                                            
CONECT   25   26   30                                                       
CONECT   26   13   25   27                                                  
CONECT   27   26   28   31                                                  
CONECT   28   27   29   32                                                  
CONECT   29   28   30   33                                                  
CONECT   30   25   29   34                                                  
CONECT   31   27                                                            
CONECT   32   28                                                            
CONECT   33   29                                                            
CONECT   34   30   35                                                       
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END
Download

3D PDB for HMDB0032760 (Nb-trans-p-Coumaroylserotonin glucoside)

COMPND    HMDB0032760
HETATM    1  O1  UNL     1       2.194  -0.498  -0.681  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.796  -0.012   0.303  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.136   0.544   0.056  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.900   1.087   0.961  1.00  0.00           C  
HETATM    5  C4  UNL     1       6.214   1.614   0.629  1.00  0.00           C  
HETATM    6  C5  UNL     1       7.000   2.189   1.635  1.00  0.00           C  
HETATM    7  C6  UNL     1       8.240   2.704   1.405  1.00  0.00           C  
HETATM    8  C7  UNL     1       8.757   2.662   0.123  1.00  0.00           C  
HETATM    9  O2  UNL     1      10.027   3.199  -0.068  1.00  0.00           O  
HETATM   10  C8  UNL     1       8.033   2.110  -0.906  1.00  0.00           C  
HETATM   11  C9  UNL     1       6.766   1.594  -0.622  1.00  0.00           C  
HETATM   12  N1  UNL     1       2.186  -0.018   1.564  1.00  0.00           N  
HETATM   13  C10 UNL     1       0.929  -0.517   1.970  1.00  0.00           C  
HETATM   14  C11 UNL     1       0.658  -1.961   1.878  1.00  0.00           C  
HETATM   15  C12 UNL     1       0.705  -2.624   0.580  1.00  0.00           C  
HETATM   16  C13 UNL     1       1.671  -3.499   0.082  1.00  0.00           C  
HETATM   17  N2  UNL     1       1.268  -3.871  -1.135  1.00  0.00           N  
HETATM   18  C14 UNL     1       0.114  -3.302  -1.462  1.00  0.00           C  
HETATM   19  C15 UNL     1      -0.684  -3.378  -2.596  1.00  0.00           C  
HETATM   20  C16 UNL     1      -1.844  -2.648  -2.621  1.00  0.00           C  
HETATM   21  C17 UNL     1      -2.242  -1.838  -1.549  1.00  0.00           C  
HETATM   22  O3  UNL     1      -3.421  -1.139  -1.655  1.00  0.00           O  
HETATM   23  C18 UNL     1      -4.009  -0.284  -0.725  1.00  0.00           C  
HETATM   24  O4  UNL     1      -4.086   0.983  -1.280  1.00  0.00           O  
HETATM   25  C19 UNL     1      -4.733   1.905  -0.508  1.00  0.00           C  
HETATM   26  C20 UNL     1      -5.893   2.570  -1.253  1.00  0.00           C  
HETATM   27  O5  UNL     1      -5.423   3.232  -2.398  1.00  0.00           O  
HETATM   28  C21 UNL     1      -5.189   1.433   0.822  1.00  0.00           C  
HETATM   29  O6  UNL     1      -6.163   2.348   1.285  1.00  0.00           O  
HETATM   30  C22 UNL     1      -5.807   0.081   0.861  1.00  0.00           C  
HETATM   31  O7  UNL     1      -7.191   0.117   1.039  1.00  0.00           O  
HETATM   32  C23 UNL     1      -5.392  -0.748  -0.308  1.00  0.00           C  
HETATM   33  O8  UNL     1      -5.391  -2.074   0.057  1.00  0.00           O  
HETATM   34  C24 UNL     1      -1.438  -1.778  -0.436  1.00  0.00           C  
HETATM   35  C25 UNL     1      -0.255  -2.516  -0.400  1.00  0.00           C  
HETATM   36  H1  UNL     1       4.501   0.492  -0.959  1.00  0.00           H  
HETATM   37  H2  UNL     1       4.567   1.154   1.976  1.00  0.00           H  
HETATM   38  H3  UNL     1       6.582   2.213   2.625  1.00  0.00           H  
HETATM   39  H4  UNL     1       8.800   3.139   2.234  1.00  0.00           H  
HETATM   40  H5  UNL     1      10.869   2.655   0.021  1.00  0.00           H  
HETATM   41  H6  UNL     1       8.455   2.088  -1.894  1.00  0.00           H  
HETATM   42  H7  UNL     1       6.231   1.171  -1.454  1.00  0.00           H  
HETATM   43  H8  UNL     1       2.777   0.430   2.342  1.00  0.00           H  
HETATM   44  H9  UNL     1       0.123   0.104   1.463  1.00  0.00           H  
HETATM   45  H10 UNL     1       0.762  -0.235   3.061  1.00  0.00           H  
HETATM   46  H11 UNL     1       1.386  -2.497   2.541  1.00  0.00           H  
HETATM   47  H12 UNL     1      -0.337  -2.137   2.398  1.00  0.00           H  
HETATM   48  H13 UNL     1       2.548  -3.780   0.623  1.00  0.00           H  
HETATM   49  H14 UNL     1       1.778  -4.536  -1.787  1.00  0.00           H  
HETATM   50  H15 UNL     1      -0.375  -4.002  -3.419  1.00  0.00           H  
HETATM   51  H16 UNL     1      -2.518  -2.668  -3.495  1.00  0.00           H  
HETATM   52  H17 UNL     1      -3.404  -0.220   0.173  1.00  0.00           H  
HETATM   53  H18 UNL     1      -4.002   2.748  -0.326  1.00  0.00           H  
HETATM   54  H19 UNL     1      -6.680   1.833  -1.508  1.00  0.00           H  
HETATM   55  H20 UNL     1      -6.374   3.344  -0.621  1.00  0.00           H  
HETATM   56  H21 UNL     1      -5.877   2.892  -3.185  1.00  0.00           H  
HETATM   57  H22 UNL     1      -4.341   1.544   1.560  1.00  0.00           H  
HETATM   58  H23 UNL     1      -7.047   2.161   0.906  1.00  0.00           H  
HETATM   59  H24 UNL     1      -5.409  -0.439   1.783  1.00  0.00           H  
HETATM   60  H25 UNL     1      -7.548  -0.639   0.478  1.00  0.00           H  
HETATM   61  H26 UNL     1      -6.057  -0.641  -1.189  1.00  0.00           H  
HETATM   62  H27 UNL     1      -5.161  -2.667  -0.727  1.00  0.00           H  
HETATM   63  H28 UNL     1      -1.685  -1.176   0.419  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   12
CONECT    3    4    4   36
CONECT    4    5   37
CONECT    5    6    6   11
CONECT    6    7   38
CONECT    7    8    8   39
CONECT    8    9   10
CONECT    9   40
CONECT   10   11   11   41
CONECT   11   42
CONECT   12   13   43
CONECT   13   14   44   45
CONECT   14   15   46   47
CONECT   15   16   16   35
CONECT   16   17   48
CONECT   17   18   49
CONECT   18   19   19   35
CONECT   19   20   50
CONECT   20   21   21   51
CONECT   21   22   34
CONECT   22   23
CONECT   23   24   32   52
CONECT   24   25
CONECT   25   26   28   53
CONECT   26   27   54   55
CONECT   27   56
CONECT   28   29   30   57
CONECT   29   58
CONECT   30   31   32   59
CONECT   31   60
CONECT   32   33   61
CONECT   33   62
CONECT   34   35   35   63
END
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SMILES for HMDB0032760 (Nb-trans-p-Coumaroylserotonin glucoside)

OCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O
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INCHI for HMDB0032760 (Nb-trans-p-Coumaroylserotonin glucoside)

InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+
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View in JSmolView Stereo Labels
Synonyms
ValueSource
5-HydroxytryptamineHMDB
(2E)-3-(4-Hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enimidateGenerator
Chemical FormulaC25H28N2O8
Average Molecular Weight484.4984
Monoisotopic Molecular Weight484.184565882
IUPAC Name(2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide
Traditional Name(2E)-3-(4-hydroxyphenyl)-N-[2-(5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]prop-2-enamide
CAS Registry Number76423-56-8
SMILES
OCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O
InChI Identifier
InChI=1S/C25H28N2O8/c28-13-20-22(31)23(32)24(33)25(35-20)34-17-6-7-19-18(11-17)15(12-27-19)9-10-26-21(30)8-3-14-1-4-16(29)5-2-14/h1-8,11-12,20,22-25,27-29,31-33H,9-10,13H2,(H,26,30)/b8-3+
InChI KeyLPGWQGDUKIPAME-FPYGCLRLSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentArginine and derivatives
Alternative Parents
Substituents
  • Arginine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Carboxamide group
  • Guanidine
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Carboximidamide
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Imine
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point240 - 242 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP0.21Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.23 g/LALOGPS
logP1.48ALOGPS
logP0.79ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)9.42ChemAxon
pKa (Strongest Basic)1.21ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area164.5 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity126.34 m³·mol⁻¹ChemAxon
Polarizability50.82 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+208.61730932474
DeepCCS[M-H]-206.22130932474
DeepCCS[M-2H]-239.10430932474
DeepCCS[M+Na]+214.6130932474
AllCCS[M+H]+213.732859911
AllCCS[M+H-H2O]+211.932859911
AllCCS[M+NH4]+215.332859911
AllCCS[M+Na]+215.832859911
AllCCS[M-H]-204.332859911
AllCCS[M+Na-2H]-205.332859911
AllCCS[M+HCOO]-206.732859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Nb-trans-p-Coumaroylserotonin glucosideOCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O6028.5Standard polar33892256
Nb-trans-p-Coumaroylserotonin glucosideOCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O4434.7Standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucosideOCC1OC(OC2=CC3=C(NC=C3CCNC(=O)\C=C\C3=CC=C(O)C=C3)C=C2)C(O)C(O)C1O5307.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Nb-trans-p-Coumaroylserotonin glucoside,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C(O)C1O4938.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TMS,isomer #2C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C23)C=C14965.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TMS,isomer #3C[Si](C)(C)OC1C(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)OC(CO)C(O)C1O4908.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TMS,isomer #4C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C1O4916.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TMS,isomer #5C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C1O4918.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TMS,isomer #6C[Si](C)(C)N1C=C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C215033.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TMS,isomer #7C[Si](C)(C)N(CCC1=C[NH]C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C12)C(=O)/C=C/C1=CC=C(O)C=C14921.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)C3=C2)C(O)C(O)C1O4874.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #10C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C23)[Si](C)(C)C)C=C14807.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #11C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C23)C=C14992.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #12C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C)C1O4800.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #13C[Si](C)(C)OC1C(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)OC(CO)C(O)C1O[Si](C)(C)C4806.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #14C[Si](C)(C)OC1C(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)OC(CO)C(O)C1O4911.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #15C[Si](C)(C)OC1C(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)OC(CO)C(O)C1O4762.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #16C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C1O[Si](C)(C)C4794.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #17C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C1O4906.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #18C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C1O4754.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #19C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O)C1O4916.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C)C(O)C1O4846.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #20C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O)C1O4759.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #21C[Si](C)(C)N(CCC1=CN([Si](C)(C)C)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C12)C(=O)/C=C/C1=CC=C(O)C=C14929.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C(O[Si](C)(C)C)C1O4841.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C(O)C1O[Si](C)(C)C4855.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O)C(O)C1O4938.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O)C(O)C1O4801.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #7C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C23)C=C14831.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #8C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C23)C=C14825.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C23)C=C14835.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)C3=C2)C(O[Si](C)(C)C)C(O)C1O4764.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4785.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4838.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O)C(O[Si](C)(C)C)C1O4691.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4854.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O)C(O)C1O[Si](C)(C)C4701.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C(O)C1O4789.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C23)C=C14739.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #17C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C23)C=C14741.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #18C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C23)[Si](C)(C)C)C=C14663.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C23)C=C14859.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)C3=C2)C(O)C(O[Si](C)(C)C)C1O4750.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #20C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C23)C=C14738.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #21C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C23)[Si](C)(C)C)C=C14652.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #22C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C23)C=C14854.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #23C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C23)[Si](C)(C)C)C=C14659.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #24C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C23)C=C14870.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #25C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C23)[Si](C)(C)C)C=C14827.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #26C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4756.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #27C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C1O4815.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #28C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C1O4673.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #29C[Si](C)(C)OC1C(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4820.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)C3=C2)C(O)C(O)C1O[Si](C)(C)C4765.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #30C[Si](C)(C)OC1C(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)OC(CO)C(O)C1O[Si](C)(C)C4674.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #31C[Si](C)(C)OC1C(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)OC(CO)C(O)C1O4772.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #32C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O)C1O[Si](C)(C)C4810.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #33C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O)C1O[Si](C)(C)C4667.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #34C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C1O4767.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #35C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C1O4773.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)=CN3[Si](C)(C)C)C(O)C(O)C1O4888.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)[Si](C)(C)C)C3=C2)C(O)C(O)C1O4702.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4775.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4792.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4853.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C(O)C1O4698.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4732.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C(O)C1O4738.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4767.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4811.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4655.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4818.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4679.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4723.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4817.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4658.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4715.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)C3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4740.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4730.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #21C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C23)C=C14726.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #22C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C23)[Si](C)(C)C)C=C14606.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #23C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C23)C=C14791.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #24C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C23)[Si](C)(C)C)C=C14612.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #25C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C23)C=C14797.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #26C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C23)[Si](C)(C)C)C=C14718.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #27C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C23)[Si](C)(C)C)C=C14612.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #28C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C23)C=C14796.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #29C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C23)[Si](C)(C)C)C=C14711.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4815.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #30C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C23)[Si](C)(C)C)C=C14714.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #31C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4796.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #32C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C4627.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #33C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C1O4709.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #34C[Si](C)(C)OC1C(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C4705.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #35C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C1O[Si](C)(C)C4697.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C(O)C1O4632.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)C3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4743.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)=CN3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4786.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)[Si](C)(C)C)C3=C2)C(O)C(O[Si](C)(C)C)C1O4612.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)=CN3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4809.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)[Si](C)(C)C)C3=C2)C(O)C(O)C1O[Si](C)(C)C4630.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4725.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4675.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4802.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4638.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4678.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4709.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4685.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #16C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C23)[Si](C)(C)C)C=C14566.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #17C[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C23)C=C14759.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #18C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C23)[Si](C)(C)C)C=C14638.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #19C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C23)[Si](C)(C)C)C=C14660.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4768.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #20C[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=CN([Si](C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C23)[Si](C)(C)C)C=C14650.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #21C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4655.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4597.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4781.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)[Si](C)(C)C)C3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4628.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4689.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)=CN3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4776.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O[Si](C)(C)C)C=C4)[Si](C)(C)C)C3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4598.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,5TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O[Si](C)(C)C)C=C2)[Si](C)(C)C)=CN3[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4648.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C(O)C1O5180.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C23)C=C15211.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)OC(CO)C(O)C1O5160.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C1O5155.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C1O5168.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1C=C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)C2=CC(OC3OC(CO)C(O)C(O)C3O)=CC=C215276.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CCC1=C[NH]C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C12)C(=O)/C=C/C1=CC=C(O)C=C15157.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)C3=C2)C(O)C(O)C1O5374.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C23)[Si](C)(C)C(C)(C)C)C=C15345.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C23)C=C15464.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C(C)(C)C)C1O5303.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C5311.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O5394.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)OC(CO)C(O)C1O5269.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C1O[Si](C)(C)C(C)(C)C5302.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)C1O5383.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C1O5252.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)C(O)C1O5393.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5339.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C(O)C1O5259.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(CCC1=CN([Si](C)(C)C(C)(C)C)C2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C12)C(=O)/C=C/C1=CC=C(O)C=C15382.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5329.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5338.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5399.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C(O)C(O)C1O5294.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C23)C=C15358.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C23)C=C15340.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C23)C=C15355.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5536.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5488.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5509.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5372.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5521.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5378.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C(C)(C)C)=CN3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5439.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C23)C=C15514.6Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C23)C=C15513.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C23)[Si](C)(C)C(C)(C)C)C=C15433.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C23)C=C15564.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)C3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5519.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C23)C=C15524.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C23)[Si](C)(C)C(C)(C)C)C=C15418.8Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C23)C=C15555.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=C[NH]C3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C23)[Si](C)(C)C(C)(C)C)C=C15428.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)NCCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C23)C=C15567.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C/C(=O)N(CCC2=CN([Si](C)(C)C(C)(C)C)C3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C23)[Si](C)(C)C(C)(C)C)C=C15530.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5471.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5503.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C(O[Si](C)(C)C(C)(C)C)C1O5363.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C5514.1Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)C3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5529.7Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C5375.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C(C)(C)C)=CN3[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O5435.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5500.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C(O)C1O[Si](C)(C)C(C)(C)C5353.2Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C(C)(C)C)=CN3[Si](C)(C)C(C)(C)C)C1O5432.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=C2)C(CCN(C(=O)/C=C/C2=CC=C(O)C=C2)[Si](C)(C)C(C)(C)C)=CN3[Si](C)(C)C(C)(C)C)C(O)C1O5427.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=CN3[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5563.9Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C(O)C(O)C1O5440.0Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5487.3Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCNC(=O)/C=C/C4=CC=C(O)C=C4)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5493.5Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=C2)C(CCNC(=O)/C=C/C2=CC=C(O)C=C2)=CN3[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5528.4Semi standard non polar33892256
Nb-trans-p-Coumaroylserotonin glucoside,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3[NH]C=C(CCN(C(=O)/C=C/C4=CC=C(O)C=C4)[Si](C)(C)C(C)(C)C)C3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5382.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0wt9-4904500000-7f681c975d1b3246df792017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside GC-MS (2 TMS) - 70eV, Positivesplash10-03di-5863009000-dd6871f89ea958ced31c2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 10V, Positive-QTOFsplash10-0079-0309300000-3f1b6d41347895b2dce82016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 20V, Positive-QTOFsplash10-05di-0904000000-cf5b0108517530cf17e72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 40V, Positive-QTOFsplash10-01t9-0901000000-9961446d481b73d890122016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 10V, Negative-QTOFsplash10-0089-1407900000-a68bed48f6fc85b1b6032016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 20V, Negative-QTOFsplash10-00di-1809200000-7ae1a2b2ca34e8fe94292016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 40V, Negative-QTOFsplash10-022c-3912000000-bcd9e1f8db7bb0f768042016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 10V, Negative-QTOFsplash10-001i-0302900000-84b21c76d5c300b455b32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 20V, Negative-QTOFsplash10-060r-4409500000-2a047eed990247822ad42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 40V, Negative-QTOFsplash10-0gb9-1974000000-fbb87490537b975c096e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 10V, Positive-QTOFsplash10-0079-0207900000-9cf87fa1b955e857d9062021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 20V, Positive-QTOFsplash10-014i-0309700000-4a12f17b8061f35d57a62021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nb-trans-p-Coumaroylserotonin glucoside 40V, Positive-QTOFsplash10-0aor-7902300000-45ddbf5f4fdeb36454ab2021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010727
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751296
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. De-Miguel FF, Trueta C: Synaptic and extrasynaptic secretion of serotonin. Cell Mol Neurobiol. 2005 Mar;25(2):297-312. [PubMed:16047543 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .