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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:18:25 UTC

Update Date

2022-03-07 02:56:00 UTC

HMDB ID

HMDB0038960

Secondary Accession Numbers

HMDB38960

Metabolite Identification

Common Name

Zeanoside C

Description

Zeanoside C belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Zeanoside C is found, on average, in the highest concentration within corns (Zea mays). Zeanoside C has also been detected, but not quantified in, a few different foods, such as breakfast cereal, cereals and cereal products, and fats and oils. This could make zeanoside C a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Zeanoside C.

Structure

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

  Mrv0541 02241212032D          

 27 29  0  0  0  0            999 V2000
    1.1681    0.9237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768   -0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082   -0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4451    0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1901    1.7659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814    0.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065    0.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065   -0.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814   -0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2716   -1.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534   -1.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681   -1.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463   -0.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844    0.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844    1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082    0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3636    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3636    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    0.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082    0.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

HMDB0038960
     RDKit          3D
Zeanoside C
 46 48  0  0  0  0  0  0  0  0999 V2000
    5.6040   -2.2616    0.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383   -1.0329    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6848   -0.4902    0.9646 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2295   -0.2033   -1.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2395    0.7405   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    1.5664    0.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113    1.6310   -1.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    2.4613   -2.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    1.4178   -1.3145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    0.4904   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6783    0.0202    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4534    0.4230   -0.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    0.1074   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271    1.1899    0.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8484    0.8177    0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0597   -0.3372    1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4600   -0.5474    1.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5057    0.4519   -0.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8360    0.1548   -0.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7913   -0.6803   -1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1521   -0.6373   -2.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -0.4616   -1.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146    0.5051   -2.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068   -0.8410    1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -1.2122    1.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918   -0.7566    1.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169    0.1242    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994    0.3855    0.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7762   -0.8301   -1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430    0.4394   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5123    2.4862    0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    1.8505   -1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025   -0.6369    0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4040    1.6908    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -0.1216    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6822   -1.3064    0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7047   -1.4866    1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    1.3522   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3557    0.9623   -0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -1.6852   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0466   -0.2496   -3.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -1.3717   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795    0.0688   -3.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945   -1.2628    1.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135   -1.8969    2.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517   -1.0278    1.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  5  1  0
 27 10  1  0
 22 13  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  6 31  1  0
  9 32  1  0
 13 33  1  0
 15 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  0
 19 39  1  0
 20 40  1  0
 21 41  1  0
 22 42  1  0
 23 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
M  END

  Mrv0541 02241212032D          

 27 29  0  0  0  0            999 V2000
    1.1681    0.9237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768   -0.2444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -0.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6082   -0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4451    0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1901    1.7659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814    0.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065    0.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065   -0.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0814   -0.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2716   -1.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534   -1.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1681   -1.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3312   -0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463   -0.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    0.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.4346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844    0.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6844    1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082    0.2987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3636    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3636    0.7063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    0.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    1.1138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6082    0.8421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038960

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(O)=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C16H19NO10/c18-5-8-11(21)12(22)13(23)14(27-8)26-7-3-1-2-6-10(7)17-15(24)16(6,25)4-9(19)20/h1-3,8,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)

> <INCHI_KEY>
VNIXZLMYLWKZLU-UHFFFAOYSA-N

> <FORMULA>
C16H19NO10

> <MOLECULAR_WEIGHT>
385.3228

> <EXACT_MASS>
385.100895833

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
35.17000761829551

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(3-hydroxy-2-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-3-yl)acetic acid

> <ALOGPS_LOGP>
-1.59

> <JCHEM_LOGP>
-2.4237877126666665

> <ALOGPS_LOGS>
-1.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.917122093840883

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3875371452996292

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092350576362

> <JCHEM_POLAR_SURFACE_AREA>
186.01

> <JCHEM_REFRACTIVITY>
85.7971

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.42e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3-hydroxy-2-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038960
     RDKit          3D
Zeanoside C
 46 48  0  0  0  0  0  0  0  0999 V2000
    5.6040   -2.2616    0.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383   -1.0329    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6848   -0.4902    0.9646 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2295   -0.2033   -1.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2395    0.7405   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    1.5664    0.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113    1.6310   -1.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    2.4613   -2.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    1.4178   -1.3145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    0.4904   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6783    0.0202    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4534    0.4230   -0.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    0.1074   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271    1.1899    0.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8484    0.8177    0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0597   -0.3372    1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4600   -0.5474    1.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5057    0.4519   -0.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8360    0.1548   -0.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7913   -0.6803   -1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1521   -0.6373   -2.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -0.4616   -1.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146    0.5051   -2.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068   -0.8410    1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -1.2122    1.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918   -0.7566    1.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169    0.1242    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994    0.3855    0.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7762   -0.8301   -1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430    0.4394   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5123    2.4862    0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    1.8505   -1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025   -0.6369    0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4040    1.6908    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -0.1216    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6822   -1.3064    0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7047   -1.4866    1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    1.3522   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3557    0.9623   -0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -1.6852   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0466   -0.2496   -3.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -1.3717   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795    0.0688   -3.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945   -1.2628    1.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135   -1.8969    2.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517   -1.0278    1.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  5  1  0
 27 10  1  0
 22 13  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  6 31  1  0
  9 32  1  0
 13 33  1  0
 15 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  0
 19 39  1  0
 20 40  1  0
 21 41  1  0
 22 42  1  0
 23 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
M  END

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  O   UNK     0       2.180   1.724   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.116   0.558   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.383  -0.456   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.854  -0.101   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.869  -1.318   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       4.564   1.318   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.355   3.296   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.152   1.724   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -1.319   1.268   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -1.319  -0.253   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.152  -0.710   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.507  -2.231   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.660  -3.296   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.180  -2.840   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.485  -1.318   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.006  -0.811   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -4.006   0.558   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -3.550   0.811   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -3.550   1.318   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.144   1.572   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.144   2.079   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.869   0.558   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -4.412   0.811   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.412   1.318   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -4.006   1.572   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -4.006   2.079   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -4.869   1.572   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8   11                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    8                                                            
CONECT    8    2    7    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11    2   10   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   10   14   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   23                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   23                                                            
CONECT   23   17   22   24                                                  
CONECT   24   23   25   27                                                  
CONECT   25   19   24   26                                                  
CONECT   26   25                                                            
CONECT   27   24                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   58    0
END

COMPND    HMDB0038960
HETATM    1  O1  UNL     1       5.604  -2.262   0.072  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.838  -1.033   0.017  1.00  0.00           C  
HETATM    3  O2  UNL     1       6.685  -0.490   0.965  1.00  0.00           O  
HETATM    4  C2  UNL     1       5.230  -0.203  -1.024  1.00  0.00           C  
HETATM    5  C3  UNL     1       4.239   0.740  -0.410  1.00  0.00           C  
HETATM    6  O3  UNL     1       4.900   1.566   0.518  1.00  0.00           O  
HETATM    7  C4  UNL     1       3.611   1.631  -1.388  1.00  0.00           C  
HETATM    8  O4  UNL     1       4.145   2.461  -2.184  1.00  0.00           O  
HETATM    9  N1  UNL     1       2.213   1.418  -1.314  1.00  0.00           N  
HETATM   10  C5  UNL     1       1.917   0.490  -0.269  1.00  0.00           C  
HETATM   11  C6  UNL     1       0.678   0.020   0.193  1.00  0.00           C  
HETATM   12  O5  UNL     1      -0.453   0.423  -0.418  1.00  0.00           O  
HETATM   13  C7  UNL     1      -1.789   0.107  -0.178  1.00  0.00           C  
HETATM   14  O6  UNL     1      -2.527   1.190   0.295  1.00  0.00           O  
HETATM   15  C8  UNL     1      -3.848   0.818   0.466  1.00  0.00           C  
HETATM   16  C9  UNL     1      -4.060  -0.337   1.403  1.00  0.00           C  
HETATM   17  O7  UNL     1      -5.460  -0.547   1.438  1.00  0.00           O  
HETATM   18  C10 UNL     1      -4.506   0.452  -0.848  1.00  0.00           C  
HETATM   19  O8  UNL     1      -5.836   0.155  -0.601  1.00  0.00           O  
HETATM   20  C11 UNL     1      -3.791  -0.680  -1.524  1.00  0.00           C  
HETATM   21  O9  UNL     1      -4.152  -0.637  -2.894  1.00  0.00           O  
HETATM   22  C12 UNL     1      -2.327  -0.462  -1.467  1.00  0.00           C  
HETATM   23  O10 UNL     1      -2.015   0.505  -2.456  1.00  0.00           O  
HETATM   24  C13 UNL     1       0.707  -0.841   1.267  1.00  0.00           C  
HETATM   25  C14 UNL     1       1.902  -1.212   1.847  1.00  0.00           C  
HETATM   26  C15 UNL     1       3.092  -0.757   1.397  1.00  0.00           C  
HETATM   27  C16 UNL     1       3.117   0.124   0.301  1.00  0.00           C  
HETATM   28  H1  UNL     1       7.199   0.385   0.853  1.00  0.00           H  
HETATM   29  H2  UNL     1       4.776  -0.830  -1.824  1.00  0.00           H  
HETATM   30  H3  UNL     1       6.043   0.439  -1.465  1.00  0.00           H  
HETATM   31  H4  UNL     1       4.512   2.486   0.547  1.00  0.00           H  
HETATM   32  H5  UNL     1       1.458   1.851  -1.912  1.00  0.00           H  
HETATM   33  H6  UNL     1      -1.802  -0.637   0.644  1.00  0.00           H  
HETATM   34  H7  UNL     1      -4.404   1.691   0.875  1.00  0.00           H  
HETATM   35  H8  UNL     1      -3.718  -0.122   2.419  1.00  0.00           H  
HETATM   36  H9  UNL     1      -3.682  -1.306   0.980  1.00  0.00           H  
HETATM   37  H10 UNL     1      -5.705  -1.487   1.501  1.00  0.00           H  
HETATM   38  H11 UNL     1      -4.424   1.352  -1.504  1.00  0.00           H  
HETATM   39  H12 UNL     1      -6.356   0.962  -0.392  1.00  0.00           H  
HETATM   40  H13 UNL     1      -4.031  -1.685  -1.116  1.00  0.00           H  
HETATM   41  H14 UNL     1      -5.047  -0.250  -3.031  1.00  0.00           H  
HETATM   42  H15 UNL     1      -1.724  -1.372  -1.679  1.00  0.00           H  
HETATM   43  H16 UNL     1      -1.979   0.069  -3.347  1.00  0.00           H  
HETATM   44  H17 UNL     1      -0.195  -1.263   1.704  1.00  0.00           H  
HETATM   45  H18 UNL     1       1.914  -1.897   2.699  1.00  0.00           H  
HETATM   46  H19 UNL     1       4.052  -1.028   1.853  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   28
CONECT    4    5   29   30
CONECT    5    6    7   27
CONECT    6   31
CONECT    7    8    8    9
CONECT    9   10   32
CONECT   10   11   11   27
CONECT   11   12   24
CONECT   12   13
CONECT   13   14   22   33
CONECT   14   15
CONECT   15   16   18   34
CONECT   16   17   35   36
CONECT   17   37
CONECT   18   19   20   38
CONECT   19   39
CONECT   20   21   22   40
CONECT   21   41
CONECT   22   23   42
CONECT   23   43
CONECT   24   25   25   44
CONECT   25   26   45
CONECT   26   27   27   46
END

HMDB0038960
     RDKit          3D
Zeanoside C
 46 48  0  0  0  0  0  0  0  0999 V2000
    5.6040   -2.2616    0.0717 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8383   -1.0329    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6848   -0.4902    0.9646 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2295   -0.2033   -1.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2395    0.7405   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    1.5664    0.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6113    1.6310   -1.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1450    2.4613   -2.1843 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2126    1.4178   -1.3145 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9166    0.4904   -0.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6783    0.0202    0.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4534    0.4230   -0.4183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7892    0.1074   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271    1.1899    0.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8484    0.8177    0.4662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0597   -0.3372    1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4600   -0.5474    1.4382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5057    0.4519   -0.8482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8360    0.1548   -0.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7913   -0.6803   -1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1521   -0.6373   -2.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3273   -0.4616   -1.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0146    0.5051   -2.4555 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7068   -0.8410    1.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -1.2122    1.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0918   -0.7566    1.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1169    0.1242    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1994    0.3855    0.8529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7762   -0.8301   -1.8243 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0430    0.4394   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5123    2.4862    0.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4583    1.8505   -1.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8025   -0.6369    0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4040    1.6908    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -0.1216    2.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6822   -1.3064    0.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7047   -1.4866    1.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4241    1.3522   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3557    0.9623   -0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0310   -1.6852   -1.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0466   -0.2496   -3.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240   -1.3717   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9795    0.0688   -3.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945   -1.2628    1.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9135   -1.8969    2.6991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0517   -1.0278    1.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  5  1  0
 27 10  1  0
 22 13  1  0
  3 28  1  0
  4 29  1  0
  4 30  1  0
  6 31  1  0
  9 32  1  0
 13 33  1  0
 15 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 18 38  1  0
 19 39  1  0
 20 40  1  0
 21 41  1  0
 22 42  1  0
 23 43  1  0
 24 44  1  0
 25 45  1  0
 26 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-(2,3-Dihydroxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-indol-3-yl)acetate	HMDB

Chemical Formula

C₁₆H₁₉NO₁₀

Average Molecular Weight

385.3228

Monoisotopic Molecular Weight

385.100895833

IUPAC Name

2-(3-hydroxy-2-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-3-yl)acetic acid

Traditional Name

(3-hydroxy-2-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetic acid

CAS Registry Number

120293-55-2

SMILES

OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(O)=O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C16H19NO10/c18-5-8-11(21)12(22)13(23)14(27-8)26-7-3-1-2-6-10(7)17-15(24)16(6,25)4-9(19)20/h1-3,8,11-14,18,21-23,25H,4-5H2,(H,17,24)(H,19,20)

InChI Key

VNIXZLMYLWKZLU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Hexose monosaccharide
Indolyl carboxylic acid derivative
O-glycosyl compound
Indole
Indole or derivatives
Dihydroindole
Benzenoid
Monosaccharide
Oxane
Tertiary alcohol
Carboxamide group
Lactam
Secondary carboxylic acid amide
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organic nitrogen compound
Alcohol
Primary alcohol
Organopnictogen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038960)
Cytoplasm (HMDB: HMDB0038960)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0038960)

Source

Exogenous

Exogenous (HMDB: HMDB0038960)

Food

Food (HMDB: HMDB0038960)

Cereal and cereal product

Cereal product

Breakfast cereal (FooDB: FOOD00270)

Cereal

Corn (FooDB: FOOD00205)

Cereals and cereal products (FooDB: FOOD00858)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Endogenous

Plant

Poaceae (HMDB: HMDB0038960)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0038960)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	162 - 163 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	34.2 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-2.4	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	186.01 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	85.8 m³·mol⁻¹	ChemAxon
Polarizability	35.17 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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]+	188.508	31661259
DarkChem	[M-H]-	181.277	31661259
DeepCCS	[M+H]+	183.942	30932474
DeepCCS	[M-H]-	181.386	30932474
DeepCCS	[M-2H]-	215.876	30932474
DeepCCS	[M+Na]+	191.412	30932474
AllCCS	[M+H]+	185.9	32859911
AllCCS	[M+H-H2O]+	183.2	32859911
AllCCS	[M+NH4]+	188.3	32859911
AllCCS	[M+Na]+	189.0	32859911
AllCCS	[M-H]-	183.9	32859911
AllCCS	[M+Na-2H]-	183.7	32859911
AllCCS	[M+HCOO]-	183.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Zeanoside C	OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(O)=O)C(O)C(O)C1O	4702.0	Standard polar	33892256
Zeanoside C	OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(O)=O)C(O)C(O)C1O	2984.3	Standard non polar	33892256
Zeanoside C	OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(O)=O)C(O)C(O)C1O	3517.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Zeanoside C,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C(O)C1O	3399.1	Semi standard non polar	33892256
Zeanoside C,1TMS,isomer #2	C[Si](C)(C)OC1(CC(=O)O)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3458.0	Semi standard non polar	33892256
Zeanoside C,1TMS,isomer #3	C[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3400.7	Semi standard non polar	33892256
Zeanoside C,1TMS,isomer #4	C[Si](C)(C)OC1C(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)OC(CO)C(O)C1O	3386.2	Semi standard non polar	33892256
Zeanoside C,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C1O	3363.0	Semi standard non polar	33892256
Zeanoside C,1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C1O	3378.1	Semi standard non polar	33892256
Zeanoside C,1TMS,isomer #7	C[Si](C)(C)N1C(=O)C(O)(CC(=O)O)C2=CC=CC(OC3OC(CO)C(O)C(O)C3O)=C21	3343.7	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C(O)C1O	3400.6	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #10	C[Si](C)(C)OC1C(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)OC(CO)C(O)C1O	3407.8	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #11	C[Si](C)(C)OC1(CC(=O)O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3321.1	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #12	C[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=CC=C21	3310.8	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #13	C[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=CC=C21	3295.0	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #14	C[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=CC=C21	3322.1	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #15	C[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3224.9	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C1O	3340.5	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #17	C[Si](C)(C)OC1C(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)OC(CO)C(O)C1O[Si](C)(C)C	3355.5	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #18	C[Si](C)(C)OC1C(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)OC(CO)C(O)C1O	3301.4	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C1O[Si](C)(C)C	3341.9	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O)C(O)C1O	3315.1	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #20	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C1O	3280.9	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #21	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C1O	3296.7	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C(O)C1O	3377.4	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C(O[Si](C)(C)C)C1O	3344.4	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C(O)C1O[Si](C)(C)C	3371.0	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C(O)C1O	3274.7	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #7	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3377.2	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C1O	3402.3	Semi standard non polar	33892256
Zeanoside C,2TMS,isomer #9	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C1O	3370.2	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C1O	3271.1	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3356.8	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3373.1	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C(O)C1O	3266.1	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3343.3	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C(O[Si](C)(C)C)C1O	3229.1	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C(O)C1O[Si](C)(C)C	3252.5	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #16	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=CC=C21	3294.9	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #17	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=CC=C21	3274.9	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #18	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=CC=C21	3298.9	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #19	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3195.3	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3399.5	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3386.9	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #21	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3364.8	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C1O	3289.5	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #23	C[Si](C)(C)OC1C(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3388.6	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #24	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C1O	3260.0	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #25	C[Si](C)(C)OC1C(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)OC(CO)C(O)C1O	3292.1	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #26	C[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=CC=C21	3239.7	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #27	C[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=CC=C21	3256.3	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #28	C[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=CC=C21	3172.2	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #29	C[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=CC=C21	3251.0	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3344.2	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #30	C[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=CC=C21	3157.8	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #31	C[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=CC=C21	3183.3	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #32	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3357.7	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #33	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C1O	3266.4	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #34	C[Si](C)(C)OC1C(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)OC(CO)C(O)C1O[Si](C)(C)C	3277.4	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #35	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C1O[Si](C)(C)C	3252.3	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3391.8	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C(O)C1O	3238.8	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3257.7	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3217.5	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3250.9	Semi standard non polar	33892256
Zeanoside C,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O)C(O)C1O	3141.1	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3236.4	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3214.4	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3208.4	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3250.0	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3121.6	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3197.3	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3106.0	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3114.8	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3364.7	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3236.0	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3265.2	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3206.0	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3219.0	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #21	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=CC=C21	3217.8	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #22	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=CC=C21	3242.3	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #23	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C=CC=C21	3152.6	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #24	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=CC=C21	3230.8	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #25	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C=CC=C21	3152.1	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #26	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C=CC=C21	3158.6	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #27	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3334.9	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #28	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3240.4	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #29	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3229.0	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3223.8	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #30	C[Si](C)(C)OC1C(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3251.6	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #31	C[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=CC=C21	3204.8	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #32	C[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=CC=C21	3119.7	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #33	C[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=CC=C21	3132.7	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #34	C[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=CC=C21	3141.8	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #35	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3241.1	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C1O	3099.7	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3326.3	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3362.9	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3233.5	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3310.2	Semi standard non polar	33892256
Zeanoside C,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3194.9	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3181.3	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3180.0	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3181.7	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3106.3	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3150.2	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3104.3	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3250.9	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #16	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=CC=C21	3154.4	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #17	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=CC=C21	3118.8	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #18	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=CC=C21	3126.6	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #19	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=CC=C21	3125.7	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3228.5	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3208.3	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #21	C[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=CC=C21	3111.2	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3103.8	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3172.1	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3118.8	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3101.3	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3307.6	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3188.0	Semi standard non polar	33892256
Zeanoside C,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3225.8	Semi standard non polar	33892256
Zeanoside C,6TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3166.0	Semi standard non polar	33892256
Zeanoside C,6TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3140.6	Semi standard non polar	33892256
Zeanoside C,6TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3163.8	Semi standard non polar	33892256
Zeanoside C,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3135.8	Semi standard non polar	33892256
Zeanoside C,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3206.9	Semi standard non polar	33892256
Zeanoside C,6TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3131.0	Semi standard non polar	33892256
Zeanoside C,6TMS,isomer #7	C[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=CC=C21	3110.1	Semi standard non polar	33892256
Zeanoside C,7TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3152.9	Semi standard non polar	33892256
Zeanoside C,7TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3221.7	Standard non polar	33892256
Zeanoside C,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C(O)C1O	3645.3	Semi standard non polar	33892256
Zeanoside C,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1(CC(=O)O)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3697.4	Semi standard non polar	33892256
Zeanoside C,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3679.9	Semi standard non polar	33892256
Zeanoside C,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)OC(CO)C(O)C1O	3654.6	Semi standard non polar	33892256
Zeanoside C,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C1O	3646.3	Semi standard non polar	33892256
Zeanoside C,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C1O	3658.5	Semi standard non polar	33892256
Zeanoside C,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N1C(=O)C(O)(CC(=O)O)C2=CC=CC(OC3OC(CO)C(O)C(O)C3O)=C21	3636.9	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3807.2	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3847.8	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1(CC(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3815.5	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=CC=C21	3777.9	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=CC=C21	3762.9	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	3778.3	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3752.7	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3796.3	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3812.8	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)OC(CO)C(O)C1O	3761.5	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3785.6	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3759.7	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C1O	3761.3	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C1O	3763.2	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3795.3	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3771.0	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3789.2	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C(O)C1O	3731.5	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3835.1	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O	3846.9	Semi standard non polar	33892256
Zeanoside C,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C1O	3831.1	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3916.8	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3933.8	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3947.8	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3867.9	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3920.4	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3868.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3863.4	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=CC=C21	3940.2	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=CC=C21	3938.2	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	3936.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O)C=CC=C21	3923.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3961.3	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3957.7	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3951.4	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O	3952.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3969.4	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C1O	3940.4	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3951.5	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=CC=C21	3857.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	3866.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=CC=C21	3871.4	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	3876.2	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3944.5	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=CC=C21	3879.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	3864.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3929.8	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3875.9	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3895.2	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3878.7	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3953.0	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3906.3	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3866.8	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3862.3	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3863.2	Semi standard non polar	33892256
Zeanoside C,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3834.7	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4062.3	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4042.0	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4023.6	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4046.6	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3946.8	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4014.6	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3980.5	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3957.4	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4109.0	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4015.3	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4038.0	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4076.8	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4009.0	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=CC=C21	4061.7	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	4059.3	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C=CC=C21	4032.3	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)NC2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	4074.7	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C=CC=C21	4050.6	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)CC1(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	4021.6	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4089.3	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4065.4	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4070.5	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4063.9	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4086.4	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)NC2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	4002.8	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C=CC=C21	3981.7	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	3979.2	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)CC1(O)C(=O)N([Si](C)(C)C(C)(C)C)C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C=CC=C21	3994.5	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(O)CC(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4020.0	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3985.3	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4106.2	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4134.8	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4040.6	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2NC(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4094.8	Semi standard non polar	33892256
Zeanoside C,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2N([Si](C)(C)C(C)(C)C)C(=O)C3(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4056.9	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 - Zeanoside C GC-MS (Non-derivatized) - 70eV, Positive	splash10-03xr-4928000000-42d445362ccfeb1136a6	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zeanoside C GC-MS (4 TMS) - 70eV, Positive	splash10-0a4i-2412059000-e11b7a25c7374b0de7bc	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zeanoside C GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zeanoside C GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zeanoside C GC-MS (TBDMS_3_23) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zeanoside C GC-MS (TBDMS_4_30) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zeanoside C GC-MS (TBDMS_4_34) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zeanoside C GC-MS ("Zeanoside C,3TBDMS,#23" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 10V, Positive-QTOF	splash10-0avr-0379000000-99f5f58e626431ebf0f0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 20V, Positive-QTOF	splash10-08fr-0952000000-dc5113eae38db70d91ee	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 40V, Positive-QTOF	splash10-0a4i-3980000000-f861abeccbc2b851dc9c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 10V, Negative-QTOF	splash10-00ec-1349000000-59f167aca39e3c3d36a9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 20V, Negative-QTOF	splash10-0229-3954000000-994a7c5b7e885c51660b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 40V, Negative-QTOF	splash10-01zc-3920000000-4a7feb2aac9fea913900	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 10V, Positive-QTOF	splash10-000i-0019000000-737d686007725d0a2c96	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 20V, Positive-QTOF	splash10-0002-0079000000-9cfef46b05367b7c671b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 40V, Positive-QTOF	splash10-05fv-9262000000-cd96ab06e265378bd8f9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 10V, Negative-QTOF	splash10-0089-0009000000-f33d93b95e8e2f576941	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 20V, Negative-QTOF	splash10-00di-2429000000-f493600d392abe41a848	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zeanoside C 40V, Negative-QTOF	splash10-0006-9430000000-18c63310d1786409637c	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

Not Available

FooDB ID

FDB018444

KNApSAcK ID

C00057817

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13988324

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

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 Zeanoside C (HMDB0038960)

MOL for HMDB0038960 (Zeanoside C)

3D MOL for HMDB0038960 (Zeanoside C)

3D SDF for HMDB0038960 (Zeanoside C)

3D-SDF for HMDB0038960 (Zeanoside C)

PDB for HMDB0038960 (Zeanoside C)

3D PDB for HMDB0038960 (Zeanoside C)

SMILES for HMDB0038960 (Zeanoside C)

INCHI for HMDB0038960 (Zeanoside C)

Structure for HMDB0038960 (Zeanoside C)

3D Structure for HMDB0038960 (Zeanoside C)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra