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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 20:42:46 UTC

Update Date

2022-03-07 02:54:36 UTC

HMDB ID

HMDB0035700

Secondary Accession Numbers

HMDB35700

Metabolite Identification

Common Name

Lucidenic acid J

Description

Lucidenic acid J, also known as lucidenate J, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a significant number of articles have been published on Lucidenic acid J.

Structure

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

  Mrv0541 05061308392D          

 35 38  0  0  0  0            999 V2000
   -1.6810    2.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    2.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    3.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0592    4.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    0.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    2.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    4.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7075   -0.4922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -0.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230   -0.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547    5.5593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0689    5.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429    3.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187    3.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0  0  0  0
  9  8  1  0  0  0  0
 13  1  1  0  0  0  0
 13  6  1  0  0  0  0
 14 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
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 17  8  1  0  0  0  0
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 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24  2  1  0  0  0  0
 24  9  1  0  0  0  0
 24 16  1  0  0  0  0
 24 21  1  0  0  0  0
 25  3  1  0  0  0  0
 25 12  1  0  0  0  0
 25 16  1  0  0  0  0
 25 17  1  0  0  0  0
 26  4  1  0  0  0  0
 26 14  1  0  0  0  0
 26 23  1  0  0  0  0
 27  5  1  0  0  0  0
 27 18  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 12  1  0  0  0  0
 29 15  2  0  0  0  0
 30 17  1  0  0  0  0
 31 18  2  0  0  0  0
 32 19  2  0  0  0  0
 33 19  1  0  0  0  0
 34 22  2  0  0  0  0
 35 23  1  0  0  0  0
M  END

HMDB0035700
     RDKit          3D
Lucidenic acid J
 73 76  0  0  0  0  0  0  0  0999 V2000
    4.3483   -1.0563   -1.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883    0.0942   -1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1151   -0.1998    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736   -0.4642   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3061   -0.7313    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7071   -0.7149    2.1861 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6620   -0.9998    1.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.7425   -0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2916    1.3230   -1.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215    1.7741   -1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    2.4637   -1.8732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178    1.2650    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4281    0.7718    0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887   -0.0115   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3251   -0.9924   -2.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975   -1.0279   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -2.1211    0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    0.1022   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -0.3821    1.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4443   -0.1145   -0.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8319   -0.9816   -1.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0051    1.2641   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1934    1.0360    1.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    1.6653    2.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7532   -0.8505   -2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3949   -1.1046   -2.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9645    0.3962   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0078   -1.7468    1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088    1.6729   -0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    0.5531   -2.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    2.1428   -2.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369    2.1239    1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350    3.0518    1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630    3.1149    0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
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  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
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 33 73  1  0
M  END

  Mrv0541 05061308392D          

 35 38  0  0  0  0            999 V2000
   -1.6810    2.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    2.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    3.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2475    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2547    5.5593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0689    5.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429    3.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187    3.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0  0  0  0
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 13  1  1  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0035700

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H38O8/c1-13(6-7-19(32)33)14-10-18(31)27(5)20-15(29)11-16-24(2,9-8-17(30)25(16,3)12-28)21(20)22(34)23(35)26(14,27)4/h13-14,16-17,23,28,30,35H,6-12H2,1-5H3,(H,32,33)

> <INCHI_KEY>
HAVMVUFJSIMVDG-UHFFFAOYSA-N

> <FORMULA>
C27H38O8

> <MOLECULAR_WEIGHT>
490.5858

> <EXACT_MASS>
490.256668192

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
52.59067511465473

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[5,16-dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid

> <ALOGPS_LOGP>
1.90

> <JCHEM_LOGP>
1.6180741096666655

> <ALOGPS_LOGS>
-3.16

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.88826366505182

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.101799335610491

> <JCHEM_PKA_STRONGEST_BASIC>
-2.785998734974431

> <JCHEM_POLAR_SURFACE_AREA>
149.2

> <JCHEM_REFRACTIVITY>
126.80199999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.39e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-[5,16-dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0035700
     RDKit          3D
Lucidenic acid J
 73 76  0  0  0  0  0  0  0  0999 V2000
    4.3483   -1.0563   -1.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883    0.0942   -1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1151   -0.1998    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736   -0.4642   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3061   -0.7313    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7071   -0.7149    2.1861 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6620   -0.9998    1.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.7425   -0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2916    1.3230   -1.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215    1.7741   -1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    2.4637   -1.8732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178    1.2650    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505    2.3866    0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281    0.7718    0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887   -0.0115   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -0.7136   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3251   -0.9924   -2.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975   -1.0279   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -2.1211    0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    0.1022   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -0.3821    1.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4443   -0.1145   -0.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8319   -0.9816   -1.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0051    1.2641   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4865    1.3422   -0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2308    0.3337   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2547    1.0126    0.5836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4779   -0.5850    0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8981   -0.2356    2.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9693   -2.0348    0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3261   -2.1016    0.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9814   -0.4821    0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743    0.5673    1.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934    1.0360    1.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    1.6653    2.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2027   -2.0511   -1.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532   -0.8505   -2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3949   -1.1046   -2.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061    0.9081   -1.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7294   -1.0839    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0799    0.6729    0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9645    0.3962   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139   -1.3431   -0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0078   -1.7468    1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088    1.6729   -0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    0.5531   -2.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    2.1428   -2.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369    2.1239    1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350    3.0518    1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630    3.1149    0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080   -1.4370   -1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054   -1.7236    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799    0.2798    1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304   -0.3028    2.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -1.4618    1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9425   -1.0348   -1.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5222   -0.4137   -2.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734   -2.0076   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6239    1.5320   -1.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192    1.9776   -0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8757    1.3470   -1.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7405    2.3828   -0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8660   -0.3069   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0176    0.4130    0.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9857   -0.5584    2.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9270    0.8322    2.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4102   -0.8733    2.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4725   -2.6762    1.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7053   -2.5016   -0.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8233   -2.3734    0.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -1.4592    0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7212    0.2194    2.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073    1.4961    1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 15 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 20  8  1  0
 32 22  1  0
 20 12  1  0
 34 14  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  7 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 13 48  1  0
 13 49  1  0
 13 50  1  0
 18 51  1  0
 19 52  1  0
 21 53  1  0
 21 54  1  0
 21 55  1  0
 23 56  1  0
 23 57  1  0
 23 58  1  0
 24 59  1  0
 24 60  1  0
 25 61  1  0
 25 62  1  0
 26 63  1  0
 27 64  1  0
 29 65  1  0
 29 66  1  0
 29 67  1  0
 30 68  1  0
 30 69  1  0
 31 70  1  0
 32 71  1  0
 33 72  1  0
 33 73  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -3.138   4.882   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.897   4.562   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.929  -0.051   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.200   5.313   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.764   0.984   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.032   6.519   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.977   7.735   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.929   4.020   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.413   4.291   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.095   2.398   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.950   0.488   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.791   0.621   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.612   5.093   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.667   3.877   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.434   0.759   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.943   1.665   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.452   2.572   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.180   1.533   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.397   9.162   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.911   2.208   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       3.904   3.385   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.381   4.833   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.865   5.104   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.420   3.114   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.459   1.394   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.872   3.927   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.395   2.479   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.787  -0.919   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.442  -0.418   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.968   2.301   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.230  -0.006   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.342  10.377   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.129   9.372   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.373   6.011   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.342   6.553   0.000  0.00  0.00           O+0
CONECT    1   13                                                            
CONECT    2   24                                                            
CONECT    3   25                                                            
CONECT    4   26                                                            
CONECT    5   27                                                            
CONECT    6    7   13                                                       
CONECT    7    6   19                                                       
CONECT    8    9   17                                                       
CONECT    9    8   24                                                       
CONECT   10   14   18                                                       
CONECT   11   15   16                                                       
CONECT   12   25   28                                                       
CONECT   13    1    6   14                                                  
CONECT   14   10   13   26                                                  
CONECT   15   11   20   29                                                  
CONECT   16   11   24   25                                                  
CONECT   17    8   25   30                                                  
CONECT   18   10   27   31                                                  
CONECT   19    7   32   33                                                  
CONECT   20   15   21   27                                                  
CONECT   21   20   22   24                                                  
CONECT   22   21   23   34                                                  
CONECT   23   22   26   35                                                  
CONECT   24    2    9   16   21                                             
CONECT   25    3   12   16   17                                             
CONECT   26    4   14   23   27                                             
CONECT   27    5   18   20   26                                             
CONECT   28   12                                                            
CONECT   29   15                                                            
CONECT   30   17                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   19                                                            
CONECT   34   22                                                            
CONECT   35   23                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   76    0
END

COMPND    HMDB0035700
HETATM    1  C1  UNL     1       4.348  -1.056  -1.989  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.288   0.094  -1.072  1.00  0.00           C  
HETATM    3  C3  UNL     1       5.115  -0.200   0.165  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.574  -0.464  -0.149  1.00  0.00           C  
HETATM    5  C5  UNL     1       7.306  -0.731   1.096  1.00  0.00           C  
HETATM    6  O1  UNL     1       6.707  -0.715   2.186  1.00  0.00           O  
HETATM    7  O2  UNL     1       8.662  -1.000   1.043  1.00  0.00           O  
HETATM    8  C6  UNL     1       3.030   0.742  -0.732  1.00  0.00           C  
HETATM    9  C7  UNL     1       2.292   1.323  -1.949  1.00  0.00           C  
HETATM   10  C8  UNL     1       1.022   1.774  -1.326  1.00  0.00           C  
HETATM   11  O3  UNL     1       0.177   2.464  -1.873  1.00  0.00           O  
HETATM   12  C9  UNL     1       0.918   1.265   0.073  1.00  0.00           C  
HETATM   13  C10 UNL     1       1.351   2.387   0.952  1.00  0.00           C  
HETATM   14  C11 UNL     1      -0.428   0.772   0.368  1.00  0.00           C  
HETATM   15  C12 UNL     1      -0.989  -0.012  -0.571  1.00  0.00           C  
HETATM   16  C13 UNL     1      -0.008  -0.714  -1.406  1.00  0.00           C  
HETATM   17  O4  UNL     1      -0.325  -0.992  -2.563  1.00  0.00           O  
HETATM   18  C14 UNL     1       1.298  -1.028  -0.765  1.00  0.00           C  
HETATM   19  O5  UNL     1       1.016  -2.121   0.099  1.00  0.00           O  
HETATM   20  C15 UNL     1       1.932   0.102  -0.009  1.00  0.00           C  
HETATM   21  C16 UNL     1       2.247  -0.382   1.393  1.00  0.00           C  
HETATM   22  C17 UNL     1      -2.444  -0.114  -0.689  1.00  0.00           C  
HETATM   23  C18 UNL     1      -2.832  -0.982  -1.816  1.00  0.00           C  
HETATM   24  C19 UNL     1      -3.005   1.264  -0.985  1.00  0.00           C  
HETATM   25  C20 UNL     1      -4.486   1.342  -0.897  1.00  0.00           C  
HETATM   26  C21 UNL     1      -5.231   0.334  -0.139  1.00  0.00           C  
HETATM   27  O6  UNL     1      -6.255   1.013   0.584  1.00  0.00           O  
HETATM   28  C22 UNL     1      -4.478  -0.585   0.754  1.00  0.00           C  
HETATM   29  C23 UNL     1      -4.898  -0.236   2.201  1.00  0.00           C  
HETATM   30  C24 UNL     1      -4.969  -2.035   0.607  1.00  0.00           C  
HETATM   31  O7  UNL     1      -6.326  -2.102   0.939  1.00  0.00           O  
HETATM   32  C25 UNL     1      -2.981  -0.482   0.669  1.00  0.00           C  
HETATM   33  C26 UNL     1      -2.574   0.567   1.678  1.00  0.00           C  
HETATM   34  C27 UNL     1      -1.193   1.036   1.561  1.00  0.00           C  
HETATM   35  O8  UNL     1      -0.681   1.665   2.500  1.00  0.00           O  
HETATM   36  H1  UNL     1       4.203  -2.051  -1.578  1.00  0.00           H  
HETATM   37  H2  UNL     1       3.753  -0.850  -2.932  1.00  0.00           H  
HETATM   38  H3  UNL     1       5.395  -1.105  -2.435  1.00  0.00           H  
HETATM   39  H4  UNL     1       4.906   0.908  -1.594  1.00  0.00           H  
HETATM   40  H5  UNL     1       4.729  -1.084   0.707  1.00  0.00           H  
HETATM   41  H6  UNL     1       5.080   0.673   0.854  1.00  0.00           H  
HETATM   42  H7  UNL     1       6.964   0.396  -0.725  1.00  0.00           H  
HETATM   43  H8  UNL     1       6.614  -1.343  -0.852  1.00  0.00           H  
HETATM   44  H9  UNL     1       9.008  -1.747   1.622  1.00  0.00           H  
HETATM   45  H10 UNL     1       3.309   1.673  -0.143  1.00  0.00           H  
HETATM   46  H11 UNL     1       2.125   0.553  -2.719  1.00  0.00           H  
HETATM   47  H12 UNL     1       2.869   2.143  -2.397  1.00  0.00           H  
HETATM   48  H13 UNL     1       1.637   2.124   1.967  1.00  0.00           H  
HETATM   49  H14 UNL     1       0.435   3.052   1.040  1.00  0.00           H  
HETATM   50  H15 UNL     1       2.063   3.115   0.459  1.00  0.00           H  
HETATM   51  H16 UNL     1       1.908  -1.437  -1.586  1.00  0.00           H  
HETATM   52  H17 UNL     1       0.405  -1.724   0.789  1.00  0.00           H  
HETATM   53  H18 UNL     1       2.980   0.280   1.889  1.00  0.00           H  
HETATM   54  H19 UNL     1       1.330  -0.303   2.053  1.00  0.00           H  
HETATM   55  H20 UNL     1       2.496  -1.462   1.438  1.00  0.00           H  
HETATM   56  H21 UNL     1      -3.942  -1.035  -1.988  1.00  0.00           H  
HETATM   57  H22 UNL     1      -2.522  -0.414  -2.754  1.00  0.00           H  
HETATM   58  H23 UNL     1      -2.473  -2.008  -1.806  1.00  0.00           H  
HETATM   59  H24 UNL     1      -2.624   1.532  -1.998  1.00  0.00           H  
HETATM   60  H25 UNL     1      -2.519   1.978  -0.288  1.00  0.00           H  
HETATM   61  H26 UNL     1      -4.876   1.347  -1.958  1.00  0.00           H  
HETATM   62  H27 UNL     1      -4.741   2.383  -0.536  1.00  0.00           H  
HETATM   63  H28 UNL     1      -5.866  -0.307  -0.828  1.00  0.00           H  
HETATM   64  H29 UNL     1      -7.018   0.413   0.767  1.00  0.00           H  
HETATM   65  H30 UNL     1      -5.986  -0.558   2.233  1.00  0.00           H  
HETATM   66  H31 UNL     1      -4.927   0.832   2.390  1.00  0.00           H  
HETATM   67  H32 UNL     1      -4.410  -0.873   2.937  1.00  0.00           H  
HETATM   68  H33 UNL     1      -4.473  -2.676   1.399  1.00  0.00           H  
HETATM   69  H34 UNL     1      -4.705  -2.502  -0.332  1.00  0.00           H  
HETATM   70  H35 UNL     1      -6.823  -2.373   0.140  1.00  0.00           H  
HETATM   71  H36 UNL     1      -2.552  -1.459   0.953  1.00  0.00           H  
HETATM   72  H37 UNL     1      -2.721   0.219   2.719  1.00  0.00           H  
HETATM   73  H38 UNL     1      -3.207   1.496   1.571  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3    8   39
CONECT    3    4   40   41
CONECT    4    5   42   43
CONECT    5    6    6    7
CONECT    7   44
CONECT    8    9   20   45
CONECT    9   10   46   47
CONECT   10   11   11   12
CONECT   12   13   14   20
CONECT   13   48   49   50
CONECT   14   15   15   34
CONECT   15   16   22
CONECT   16   17   17   18
CONECT   18   19   20   51
CONECT   19   52
CONECT   20   21
CONECT   21   53   54   55
CONECT   22   23   24   32
CONECT   23   56   57   58
CONECT   24   25   59   60
CONECT   25   26   61   62
CONECT   26   27   28   63
CONECT   27   64
CONECT   28   29   30   32
CONECT   29   65   66   67
CONECT   30   31   68   69
CONECT   31   70
CONECT   32   33   71
CONECT   33   34   72   73
CONECT   34   35   35
END

HMDB0035700
     RDKit          3D
Lucidenic acid J
 73 76  0  0  0  0  0  0  0  0999 V2000
    4.3483   -1.0563   -1.9887 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883    0.0942   -1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1151   -0.1998    0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736   -0.4642   -0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3061   -0.7313    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7071   -0.7149    2.1861 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6620   -0.9998    1.0428 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.7425   -0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2916    1.3230   -1.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215    1.7741   -1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    2.4637   -1.8732 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9178    1.2650    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3505    2.3866    0.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4281    0.7718    0.3675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887   -0.0115   -0.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0084   -0.7136   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3251   -0.9924   -2.5629 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975   -1.0279   -0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0158   -2.1211    0.0991 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9320    0.1022   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2470   -0.3821    1.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4443   -0.1145   -0.6885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8319   -0.9816   -1.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0051    1.2641   -0.9855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4865    1.3422   -0.8973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2308    0.3337   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2547    1.0126    0.5836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4779   -0.5850    0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8981   -0.2356    2.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9693   -2.0348    0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3261   -2.1016    0.9387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9814   -0.4821    0.6693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743    0.5673    1.6777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934    1.0360    1.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6813    1.6653    2.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2027   -2.0511   -1.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532   -0.8505   -2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3949   -1.1046   -2.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061    0.9081   -1.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7294   -1.0839    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0799    0.6729    0.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9645    0.3962   -0.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139   -1.3431   -0.8521 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0078   -1.7468    1.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3088    1.6729   -0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250    0.5531   -2.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8685    2.1428   -2.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6369    2.1239    1.9671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350    3.0518    1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0630    3.1149    0.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080   -1.4370   -1.5856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054   -1.7236    0.7894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9799    0.2798    1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304   -0.3028    2.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -1.4618    1.4382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9425   -1.0348   -1.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5222   -0.4137   -2.7542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4734   -2.0076   -1.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6239    1.5320   -1.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5192    1.9776   -0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8757    1.3470   -1.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7405    2.3828   -0.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8660   -0.3069   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0176    0.4130    0.7668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9857   -0.5584    2.2328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9270    0.8322    2.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4102   -0.8733    2.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4725   -2.6762    1.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7053   -2.5016   -0.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8233   -2.3734    0.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5517   -1.4592    0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7212    0.2194    2.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2073    1.4961    1.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 15 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 20  8  1  0
 32 22  1  0
 20 12  1  0
 34 14  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  0
  3 40  1  0
  3 41  1  0
  4 42  1  0
  4 43  1  0
  7 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 13 48  1  0
 13 49  1  0
 13 50  1  0
 18 51  1  0
 19 52  1  0
 21 53  1  0
 21 54  1  0
 21 55  1  0
 23 56  1  0
 23 57  1  0
 23 58  1  0
 24 59  1  0
 24 60  1  0
 25 61  1  0
 25 62  1  0
 26 63  1  0
 27 64  1  0
 29 65  1  0
 29 66  1  0
 29 67  1  0
 30 68  1  0
 30 69  1  0
 31 70  1  0
 32 71  1  0
 33 72  1  0
 33 73  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Lucidenate J	Generator
3b,12b,28-Trihydroxy-7,11,15-trioxo-25,26,27-trisnorlanost-8-en-24-Oic acid	HMDB
3b,12b-Dihydroxy-4a-hydroxymethyl-4b,14a-dimethyl-7,11,15-trioxo-5a-chol-8-en-24-Oic acid, 9ci	HMDB
4-[5,16-Dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoate	Generator

Chemical Formula

C₂₇H₃₈O₈

Average Molecular Weight

490.5858

Monoisotopic Molecular Weight

490.256668192

IUPAC Name

4-[5,16-dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid

Traditional Name

4-[5,16-dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid

CAS Registry Number

Not Available

SMILES

CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O

InChI Identifier

InChI=1S/C27H38O8/c1-13(6-7-19(32)33)14-10-18(31)27(5)20-15(29)11-16-24(2,9-8-17(30)25(16,3)12-28)21(20)22(34)23(35)26(14,27)4/h13-14,16-17,23,28,30,35H,6-12H2,1-5H3,(H,32,33)

InChI Key

HAVMVUFJSIMVDG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Trihydroxy bile acid, alcohol, or derivatives
Hydroxy bile acid, alcohol, or derivatives
Bile acid, alcohol, or derivatives
3-hydroxysteroid
7-oxosteroid
12-hydroxysteroid
2-hydroxysteroid
Oxosteroid
15-oxosteroid
11-oxosteroid
Hydroxysteroid
Steroid
Cyclohexenone
Short-chain hydroxy acid
Cyclic alcohol
Ketone
Secondary alcohol
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organic oxide
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0035700)

Source

Endogenous

Endogenous (HMDB: HMDB0035700)

Plant

Plant (HMDB: HMDB0035700)

Animal

Animal (HMDB: HMDB0035700)

Exogenous

Food

Food (HMDB: HMDB0035700)

Vegetable

Mushroom

Exogenous (HMDB: HMDB0035700)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0035700)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0035700)

Lipid metabolism pathway (HMDB: HMDB0035700)

Cellular process

Cell signaling (HMDB: HMDB0035700)

Biochemical process

Lipid transport (HMDB: HMDB0035700)

Role

Biological role

Energy source (HMDB: HMDB0035700)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0035700)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	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	0.34 g/L	ALOGPS
logP	1.9	ALOGPS
logP	1.62	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	4.1	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	149.2 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	126.8 m³·mol⁻¹	ChemAxon
Polarizability	52.59 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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]+	212.072	31661259
DarkChem	[M-H]-	205.382	31661259
DeepCCS	[M-2H]-	242.671	30932474
DeepCCS	[M+Na]+	218.096	30932474
AllCCS	[M+H]+	213.0	32859911
AllCCS	[M+H-H2O]+	211.3	32859911
AllCCS	[M+NH4]+	214.5	32859911
AllCCS	[M+Na]+	215.0	32859911
AllCCS	[M-H]-	217.0	32859911
AllCCS	[M+Na-2H]-	218.9	32859911
AllCCS	[M+HCOO]-	221.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lucidenic acid J	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4760.8	Standard polar	33892256
Lucidenic acid J	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3434.8	Standard non polar	33892256
Lucidenic acid J	CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3983.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lucidenic acid J,1TMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3919.7	Semi standard non polar	33892256
Lucidenic acid J,1TMS,isomer #2	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3886.1	Semi standard non polar	33892256
Lucidenic acid J,1TMS,isomer #3	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3943.4	Semi standard non polar	33892256
Lucidenic acid J,1TMS,isomer #4	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3902.7	Semi standard non polar	33892256
Lucidenic acid J,1TMS,isomer #5	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3726.9	Semi standard non polar	33892256
Lucidenic acid J,1TMS,isomer #6	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3830.6	Semi standard non polar	33892256
Lucidenic acid J,1TMS,isomer #7	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3842.0	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3796.6	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #10	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3769.2	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #11	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3745.9	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #12	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3841.2	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #13	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3686.4	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #14	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3745.9	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #15	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3765.3	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #16	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3651.8	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #17	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3711.6	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #18	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3711.9	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #19	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3596.2	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #2	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3827.7	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #20	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3614.2	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #21	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3725.5	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #3	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3785.7	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #4	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3652.4	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #5	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3712.3	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #6	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3730.5	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #7	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3840.2	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #8	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3785.9	Semi standard non polar	33892256
Lucidenic acid J,2TMS,isomer #9	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3637.0	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3699.1	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #10	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3531.5	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #11	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3545.1	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #12	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3568.2	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #13	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3469.7	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #14	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3507.0	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #15	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3571.7	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #16	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3724.2	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #17	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3565.4	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #18	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3658.8	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #19	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3655.2	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #2	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3655.2	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #20	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3532.5	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #21	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3616.4	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #22	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3614.3	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #23	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3502.2	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #24	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3513.7	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #25	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3628.3	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #26	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3582.5	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #27	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3616.9	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #28	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3637.1	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #29	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3502.5	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #3	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3523.4	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #30	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3539.9	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #31	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3617.6	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #32	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3484.6	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #33	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3506.3	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #34	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3579.9	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #35	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3520.4	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #4	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3613.6	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #5	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3602.9	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #6	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3692.1	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #7	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3562.3	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #8	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3580.5	Semi standard non polar	33892256
Lucidenic acid J,3TMS,isomer #9	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3606.4	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3564.9	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #10	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3511.7	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #11	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3457.3	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #12	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3468.8	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #13	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3509.5	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #14	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3411.8	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #15	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3456.8	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #16	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3499.1	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #17	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3386.7	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #18	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3422.5	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #19	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3470.0	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #2	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3467.6	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #20	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3446.9	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #21	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3478.2	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #22	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3539.6	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #23	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3560.5	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #24	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3452.5	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #25	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3470.7	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #26	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3551.9	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #27	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3429.0	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #28	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3450.0	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #29	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3524.0	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #3	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3516.0	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #30	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3467.3	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #31	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3437.8	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #32	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3472.5	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #33	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3527.0	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #34	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3470.6	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #35	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3449.6	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #4	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3542.5	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #5	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3441.9	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #6	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3484.0	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #7	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3507.2	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #8	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	3416.9	Semi standard non polar	33892256
Lucidenic acid J,4TMS,isomer #9	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3446.5	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3399.7	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3860.9	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #10	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3409.7	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #10	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C	3660.0	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #11	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3372.5	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #11	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3612.3	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #12	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3404.7	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #12	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3781.4	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #13	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3443.6	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #13	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3607.7	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #14	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3408.1	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #14	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3605.4	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #15	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3393.9	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #15	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3625.5	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #16	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3389.6	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #16	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3587.9	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #17	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3436.2	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #17	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3754.5	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #18	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3499.9	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #18	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3546.0	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #19	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3440.8	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #19	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3577.4	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #2	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3436.8	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #2	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3=O	3608.1	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #20	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3421.2	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #20	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3604.0	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #21	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3442.7	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #21	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3547.0	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #3	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3478.7	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #3	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3801.2	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #4	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3372.3	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #4	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3=O	3650.6	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #5	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3408.0	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #5	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3806.1	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #6	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3468.9	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #6	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C	3605.2	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #7	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3355.7	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #7	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3=O	3684.1	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #8	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3391.6	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #8	CC(CCC(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3855.7	Standard non polar	33892256
Lucidenic acid J,5TMS,isomer #9	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3451.0	Semi standard non polar	33892256
Lucidenic acid J,5TMS,isomer #9	CC(CCC(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1C=C3O[Si](C)(C)C	3633.2	Standard non polar	33892256
Lucidenic acid J,1TBDMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4178.1	Semi standard non polar	33892256
Lucidenic acid J,1TBDMS,isomer #2	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4119.2	Semi standard non polar	33892256
Lucidenic acid J,1TBDMS,isomer #3	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4161.0	Semi standard non polar	33892256
Lucidenic acid J,1TBDMS,isomer #4	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4147.9	Semi standard non polar	33892256
Lucidenic acid J,1TBDMS,isomer #5	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4032.3	Semi standard non polar	33892256
Lucidenic acid J,1TBDMS,isomer #6	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4077.7	Semi standard non polar	33892256
Lucidenic acid J,1TBDMS,isomer #7	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4104.4	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4273.1	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #10	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4227.5	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #11	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4208.5	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #12	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4335.0	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #13	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4175.7	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #14	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4204.2	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #15	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4232.6	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #16	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4144.7	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #17	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4178.7	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #18	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1C=C3O[Si](C)(C)C(C)(C)C	4194.3	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #19	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4083.0	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #2	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4310.9	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #20	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4088.4	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #21	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4171.3	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #3	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4287.4	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #4	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4152.3	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #5	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4188.8	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #6	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4193.9	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #7	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4292.0	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #8	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4257.2	Semi standard non polar	33892256
Lucidenic acid J,2TBDMS,isomer #9	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4125.4	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #1	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4390.0	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #10	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4231.5	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #11	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4262.5	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #12	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1C=C3O[Si](C)(C)C(C)(C)C	4268.8	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #13	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4155.1	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #14	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4192.7	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #15	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4249.4	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #16	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4437.4	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #17	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4261.5	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #18	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4354.2	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #19	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4342.2	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #2	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4367.6	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #20	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4226.9	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #21	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4320.2	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #22	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1C=C3O[Si](C)(C)C(C)(C)C	4312.6	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #23	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4185.5	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #24	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4197.5	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #25	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4289.0	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #26	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4301.9	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #27	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4326.3	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #28	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1C=C3O[Si](C)(C)C(C)(C)C	4336.3	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #29	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4196.2	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #3	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4209.5	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #30	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4215.7	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #31	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4286.1	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #32	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4163.5	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #33	CC(CCC(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1C=C3O[Si](C)(C)C(C)(C)C	4185.0	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #34	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1C=C3O[Si](C)(C)C(C)(C)C	4249.7	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #35	CC(CCC(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4163.0	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #4	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O	4310.1	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #5	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(O)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4291.0	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #6	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3=O	4424.5	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #7	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4266.0	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #8	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3=O	4289.7	Semi standard non polar	33892256
Lucidenic acid J,3TBDMS,isomer #9	CC(CCC(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1C=C3O[Si](C)(C)C(C)(C)C	4303.0	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 - Lucidenic acid J GC-MS (Non-derivatized) - 70eV, Positive	splash10-03fr-1012900000-56287b076fc399135f60	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lucidenic acid J GC-MS (2 TMS) - 70eV, Positive	splash10-0600-2100159000-b023a133bd85caebf119	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lucidenic acid J GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 10V, Positive-QTOF	splash10-05fr-0000900000-5e3748f99712b2d0a505	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 20V, Positive-QTOF	splash10-0bt9-0001900000-c3ca55350aec3551628c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 40V, Positive-QTOF	splash10-08fr-2612900000-f315ba30430ebb97f5c5	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 10V, Negative-QTOF	splash10-000i-0000900000-ed0cce0be2fbf512b4ae	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 20V, Negative-QTOF	splash10-0abl-0000900000-e051786b980bd1cff48a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 40V, Negative-QTOF	splash10-0a4i-7110900000-3a67d8ad034237b907a4	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 10V, Positive-QTOF	splash10-006x-0003900000-c4a7b27820ec583f4d38	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 20V, Positive-QTOF	splash10-0a4s-1006900000-4f5d299c52313aad422f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 40V, Positive-QTOF	splash10-0acc-9202500000-39d4fe7a2e08d02dca98	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 10V, Negative-QTOF	splash10-000i-0000900000-2b85dc0345e845335d7f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 20V, Negative-QTOF	splash10-000i-0003900000-64dcc94f0dc0ab9af394	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lucidenic acid J 40V, Negative-QTOF	splash10-004r-0004900000-1ad0788e2c0aa1ef54a1	2021-09-23	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

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

FDB014419

KNApSAcK ID

Not Available

Chemspider ID

252579

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751851

PDB ID

Not Available

ChEBI ID

192868

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

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Lucidenic acid J (HMDB0035700)

MOL for HMDB0035700 (Lucidenic acid J)

3D MOL for HMDB0035700 (Lucidenic acid J)

3D SDF for HMDB0035700 (Lucidenic acid J)

3D-SDF for HMDB0035700 (Lucidenic acid J)

PDB for HMDB0035700 (Lucidenic acid J)

3D PDB for HMDB0035700 (Lucidenic acid J)

SMILES for HMDB0035700 (Lucidenic acid J)

INCHI for HMDB0035700 (Lucidenic acid J)

Structure for HMDB0035700 (Lucidenic acid J)

3D Structure for HMDB0035700 (Lucidenic acid J)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra