Hmdb loader

Showing metabocard for Ganolucidic acid C (HMDB0039691)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:13:06 UTC
Update Date2022-03-07 02:56:18 UTC
HMDB IDHMDB0039691
Secondary Accession Numbers
  • HMDB39691
Metabolite Identification
Common NameGanolucidic acid C
DescriptionGanolucidic acid C, also known as ganolucidate C, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ganolucidic acid C is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563863420
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039691 (Ganolucidic acid C)


  Mrv0541 05061311192D          

 37 40  0  0  0  0            999 V2000
   -2.6866    3.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    3.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0236    3.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9634    1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416    2.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1917    0.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0658    1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8727    1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6375    3.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8306    3.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9721    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5432    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4873    0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4097    2.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7516    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2576    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5137    1.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4010    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2166    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1277    2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1896    3.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2942    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7687    2.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8858    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5756    2.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9346    2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7067    1.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0607    1.3474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2576    3.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4716    3.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9965    3.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6298    0.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6003    2.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8858    0.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 16  1  1  0  0  0  0
 16 11  1  0  0  0  0
 17  2  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  2  0  0  0  0
 25 21  1  0  0  0  0
 26 17  1  0  0  0  0
 27  3  1  0  0  0  0
 27 10  1  0  0  0  0
 27 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28  4  1  0  0  0  0
 28 15  1  0  0  0  0
 28 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29  5  1  0  0  0  0
 29 14  1  0  0  0  0
 29 20  1  0  0  0  0
 30  6  1  0  0  0  0
 30 19  1  0  0  0  0
 30 24  1  0  0  0  0
 30 29  1  0  0  0  0
 31 15  1  0  0  0  0
 32 18  2  0  0  0  0
 33 21  2  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 36 26  2  0  0  0  0
 37 26  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039691 (Ganolucidic acid C)

HMDB0039691
     RDKit          3D
Ganolucidic acid C
 83 86  0  0  0  0  0  0  0  0999 V2000
    6.4868   -2.2409    1.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487   -1.1859    0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527    0.1461    0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3598    0.1028    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0582   -0.9737   -0.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919    1.3416    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719    1.2288   -0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844    0.7473   -2.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217    0.2813   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9930    0.6242    1.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885    0.6409    1.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1156    1.6150    2.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673    1.0407    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4195    2.4962    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729    0.7924   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -0.4107   -0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070   -1.5025   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162   -2.6611   -0.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257   -1.3090   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844    0.1210   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8348    0.2749   -2.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940   -0.7792   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6585   -1.1505   -1.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4527   -1.9561    0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4962   -1.6981    1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7807   -1.1562    1.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3336   -2.0883    0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5009    0.1661    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9580    1.2311    1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3676    0.3593   -0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7123    0.3014   -0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0511    0.3802    0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7070    1.5942   -0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2896    1.9826   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8394   -1.6150   -0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5649   -2.7350   -0.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6436   -0.7669   -1.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1674   -2.9785    2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8815   -1.7062    2.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8714   -2.8085    0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2346   -1.0546    1.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4827    0.4585    1.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3491    0.8667    0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2029    2.0756   -0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568    1.8537    1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973    2.2522   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600    1.0695   -2.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7363   -0.3518   -2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    1.2441   -2.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -0.7187   -0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    1.5612    1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3567   -0.1650    2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537   -0.3055    1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6576    1.5203    3.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903    2.8335   -1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    2.8110    0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888    3.0788    0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0474   -1.9630   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342   -1.6563    0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    1.3128   -2.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308   -0.0820   -2.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573   -0.4367   -2.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -0.3611   -2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4040   -1.9974   -1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758   -1.5629   -2.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5089   -2.2067    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -2.8530    0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340   -1.0197    2.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7547   -2.6836    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5040   -1.0869    1.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7647   -2.9183    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8703    0.8645    2.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2944    2.1563    0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1497    1.4791    2.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2834   -0.5089   -1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2398    1.3299   -1.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7426   -0.2486    0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5975    0.5530    1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3790    2.4217   -0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8760    1.5271   -1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    2.4716    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221    2.6258   -0.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3242    0.0683   -1.5589 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 16 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
  2 35  1  0
 35 36  2  0
 35 37  1  0
 20  9  1  0
 32 22  1  0
 20 13  1  0
 34 15  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  3 42  1  0
  3 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 10 51  1  0
 10 52  1  0
 11 53  1  0
 12 54  1  0
 14 55  1  0
 14 56  1  0
 14 57  1  0
 19 58  1  0
 19 59  1  0
 21 60  1  0
 21 61  1  0
 21 62  1  0
 23 63  1  0
 23 64  1  0
 23 65  1  0
 24 66  1  0
 24 67  1  0
 25 68  1  0
 25 69  1  0
 26 70  1  0
 27 71  1  0
 29 72  1  0
 29 73  1  0
 29 74  1  0
 30 75  1  0
 30 76  1  0
 31 77  1  0
 32 78  1  0
 33 79  1  0
 33 80  1  0
 34 81  1  0
 34 82  1  0
 37 83  1  0
M  END
Download

3D SDF for HMDB0039691 (Ganolucidic acid C)


  Mrv0541 05061311192D          

 37 40  0  0  0  0            999 V2000
   -2.6866    3.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    3.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0236    3.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9634    1.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416    2.7062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1917    0.8736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0658    1.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8727    1.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6375    3.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8306    3.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9721    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5432    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4873    0.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4097    2.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7516    2.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6866    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2576    2.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5137    1.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4010    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2166    3.1103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1277    2.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1896    3.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2942    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7687    2.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8858    1.8186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5756    2.6687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9346    2.2272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1547    2.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7067    1.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0607    1.3474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2576    3.0561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4716    3.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9965    3.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6298    0.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6003    2.2311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8858    0.9936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 16  1  1  0  0  0  0
 16 11  1  0  0  0  0
 17  2  1  0  0  0  0
 17 12  1  0  0  0  0
 18 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19  7  1  0  0  0  0
 20 13  1  0  0  0  0
 20 16  1  0  0  0  0
 21 14  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 13  1  0  0  0  0
 25 19  2  0  0  0  0
 25 21  1  0  0  0  0
 26 17  1  0  0  0  0
 27  3  1  0  0  0  0
 27 10  1  0  0  0  0
 27 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28  4  1  0  0  0  0
 28 15  1  0  0  0  0
 28 22  1  0  0  0  0
 28 23  1  0  0  0  0
 29  5  1  0  0  0  0
 29 14  1  0  0  0  0
 29 20  1  0  0  0  0
 30  6  1  0  0  0  0
 30 19  1  0  0  0  0
 30 24  1  0  0  0  0
 30 29  1  0  0  0  0
 31 15  1  0  0  0  0
 32 18  2  0  0  0  0
 33 21  2  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 36 26  2  0  0  0  0
 37 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039691

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3

> <INCHI_IDENTIFIER>
InChI=1S/C30H46O7/c1-16(11-18(32)12-17(2)26(36)37)20-13-24(35)30(6)19-7-8-22-27(3,10-9-23(34)28(22,4)15-31)25(19)21(33)14-29(20,30)5/h16-17,20,22-24,31,34-35H,7-15H2,1-6H3,(H,36,37)

> <INCHI_KEY>
FMQZBQQCIZBLHW-UHFFFAOYSA-N

> <FORMULA>
C30H46O7

> <MOLECULAR_WEIGHT>
518.682

> <EXACT_MASS>
518.324353826

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
57.95585892776686

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
3.17

> <JCHEM_LOGP>
2.689894109

> <ALOGPS_LOGS>
-4.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.48498583774915

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.351767090203521

> <JCHEM_PKA_STRONGEST_BASIC>
-0.43904479138869756

> <JCHEM_POLAR_SURFACE_AREA>
132.13

> <JCHEM_REFRACTIVITY>
140.01080000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.01e-02 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039691 (Ganolucidic acid C)

HMDB0039691
     RDKit          3D
Ganolucidic acid C
 83 86  0  0  0  0  0  0  0  0999 V2000
    6.4868   -2.2409    1.6126 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3487   -1.1859    0.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6527    0.1461    0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3598    0.1028    0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0582   -0.9737   -0.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919    1.3416    0.0785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2719    1.2288   -0.6572 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844    0.7473   -2.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3217    0.2813   -0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9930    0.6242    1.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885    0.6409    1.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1156    1.6150    2.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0673    1.0407    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4195    2.4962    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3729    0.7924   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -0.4107   -0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9070   -1.5025   -0.4931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162   -2.6611   -0.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5257   -1.3090   -0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9844    0.1210   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8348    0.2749   -2.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2940   -0.7792   -0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6585   -1.1505   -1.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4527   -1.9561    0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4962   -1.6981    1.6887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7807   -1.1562    1.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3336   -2.0883    0.2172 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5009    0.1661    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9580    1.2311    1.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3676    0.3593   -0.7366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7123    0.3014   -0.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0511    0.3802    0.2578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7070    1.5942   -0.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2896    1.9826   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8394   -1.6150   -0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5649   -2.7350   -0.8665 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6436   -0.7669   -1.1130 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1674   -2.9785    2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8815   -1.7062    2.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8714   -2.8085    0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2346   -1.0546    1.6154 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4827    0.4585    1.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3491    0.8667    0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2029    2.0756   -0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4568    1.8537    1.0759 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8973    2.2522   -0.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7600    1.0695   -2.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7363   -0.3518   -2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1222    1.2441   -2.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8084   -0.7187   -0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4409    1.5612    1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3567   -0.1650    2.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537   -0.3055    1.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6576    1.5203    3.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5903    2.8335   -1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    2.8110    0.7343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888    3.0788    0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0474   -1.9630   -1.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9342   -1.6563    0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8240    1.3128   -2.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2308   -0.0820   -2.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573   -0.4367   -2.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0637   -0.3611   -2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4040   -1.9974   -1.7386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7758   -1.5629   -2.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5089   -2.2067    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7185   -2.8530    0.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340   -1.0197    2.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7547   -2.6836    2.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5040   -1.0869    1.9520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7647   -2.9183    0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8703    0.8645    2.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2944    2.1563    0.9427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1497    1.4791    2.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2834   -0.5089   -1.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2398    1.3299   -1.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7426   -0.2486    0.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5975    0.5530    1.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3790    2.4217   -0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8760    1.5271   -1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3552    2.4716    0.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9221    2.6258   -0.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3242    0.0683   -1.5589 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 16 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
  2 35  1  0
 35 36  2  0
 35 37  1  0
 20  9  1  0
 32 22  1  0
 20 13  1  0
 34 15  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  3 42  1  0
  3 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
 10 51  1  0
 10 52  1  0
 11 53  1  0
 12 54  1  0
 14 55  1  0
 14 56  1  0
 14 57  1  0
 19 58  1  0
 19 59  1  0
 21 60  1  0
 21 61  1  0
 21 62  1  0
 23 63  1  0
 23 64  1  0
 23 65  1  0
 24 66  1  0
 24 67  1  0
 25 68  1  0
 25 69  1  0
 26 70  1  0
 27 71  1  0
 29 72  1  0
 29 73  1  0
 29 74  1  0
 30 75  1  0
 30 76  1  0
 31 77  1  0
 32 78  1  0
 33 79  1  0
 33 80  1  0
 34 81  1  0
 34 82  1  0
 37 83  1  0
M  END
Download

PDB for HMDB0039691 (Ganolucidic acid C)

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      -5.015   5.705   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.320   5.705   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -11.244   6.126   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -14.865   2.618   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.611   5.052   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -9.691   1.631   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -11.323   2.052   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -12.829   2.373   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -14.257   6.766   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -12.750   6.446   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -3.681   3.395   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.014   3.395   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.510   1.863   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.231   5.486   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -16.336   3.943   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.015   4.165   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.320   4.165   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.348   4.165   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -10.292   3.197   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -6.349   3.395   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -9.738   5.806   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -13.305   3.837   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -15.287   5.622   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -8.016   1.543   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -10.768   4.661   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.653   3.395   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -12.274   4.982   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -14.811   4.157   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -7.755   4.021   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -8.786   2.877   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0     -16.913   2.515   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.348   5.705   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0     -10.214   7.270   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0     -16.793   5.942   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -8.642   0.136   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.987   4.165   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.653   1.855   0.000  0.00  0.00           O+0
CONECT    1   16                                                            
CONECT    2   17                                                            
CONECT    3   27                                                            
CONECT    4   28                                                            
CONECT    5   29                                                            
CONECT    6   30                                                            
CONECT    7    8   19                                                       
CONECT    8    7   22                                                       
CONECT    9   10   23                                                       
CONECT   10    9   27                                                       
CONECT   11   16   18                                                       
CONECT   12   17   18                                                       
CONECT   13   20   24                                                       
CONECT   14   21   29                                                       
CONECT   15   28   31                                                       
CONECT   16    1   11   20                                                  
CONECT   17    2   12   26                                                  
CONECT   18   11   12   32                                                  
CONECT   19    7   25   30                                                  
CONECT   20   13   16   29                                                  
CONECT   21   14   25   33                                                  
CONECT   22    8   27   28                                                  
CONECT   23    9   28   34                                                  
CONECT   24   13   30   35                                                  
CONECT   25   19   21   27                                                  
CONECT   26   17   36   37                                                  
CONECT   27    3   10   22   25                                             
CONECT   28    4   15   22   23                                             
CONECT   29    5   14   20   30                                             
CONECT   30    6   19   24   29                                             
CONECT   31   15                                                            
CONECT   32   18                                                            
CONECT   33   21                                                            
CONECT   34   23                                                            
CONECT   35   24                                                            
CONECT   36   26                                                            
CONECT   37   26                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END
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3D PDB for HMDB0039691 (Ganolucidic acid C)

COMPND    HMDB0039691
HETATM    1  C1  UNL     1       6.487  -2.241   1.613  1.00  0.00           C  
HETATM    2  C2  UNL     1       7.349  -1.186   0.944  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.653   0.146   0.917  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.360   0.103   0.171  1.00  0.00           C  
HETATM    5  O1  UNL     1       5.058  -0.974  -0.299  1.00  0.00           O  
HETATM    6  C5  UNL     1       4.592   1.342   0.079  1.00  0.00           C  
HETATM    7  C6  UNL     1       3.272   1.229  -0.657  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.684   0.747  -2.060  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.322   0.281  -0.033  1.00  0.00           C  
HETATM   10  C9  UNL     1       1.993   0.624   1.405  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.489   0.641   1.549  1.00  0.00           C  
HETATM   12  O2  UNL     1       0.116   1.615   2.475  1.00  0.00           O  
HETATM   13  C11 UNL     1       0.067   1.041   0.139  1.00  0.00           C  
HETATM   14  C12 UNL     1       0.419   2.496   0.007  1.00  0.00           C  
HETATM   15  C13 UNL     1      -1.373   0.792  -0.122  1.00  0.00           C  
HETATM   16  C14 UNL     1      -1.850  -0.411  -0.298  1.00  0.00           C  
HETATM   17  C15 UNL     1      -0.907  -1.502  -0.493  1.00  0.00           C  
HETATM   18  O3  UNL     1      -1.316  -2.661  -0.833  1.00  0.00           O  
HETATM   19  C16 UNL     1       0.526  -1.309  -0.308  1.00  0.00           C  
HETATM   20  C17 UNL     1       0.984   0.121  -0.641  1.00  0.00           C  
HETATM   21  C18 UNL     1       0.835   0.275  -2.105  1.00  0.00           C  
HETATM   22  C19 UNL     1      -3.294  -0.779  -0.316  1.00  0.00           C  
HETATM   23  C20 UNL     1      -3.659  -1.151  -1.708  1.00  0.00           C  
HETATM   24  C21 UNL     1      -3.453  -1.956   0.638  1.00  0.00           C  
HETATM   25  C22 UNL     1      -4.496  -1.698   1.689  1.00  0.00           C  
HETATM   26  C23 UNL     1      -5.781  -1.156   1.105  1.00  0.00           C  
HETATM   27  O4  UNL     1      -6.334  -2.088   0.217  1.00  0.00           O  
HETATM   28  C24 UNL     1      -5.501   0.166   0.477  1.00  0.00           C  
HETATM   29  C25 UNL     1      -5.958   1.231   1.488  1.00  0.00           C  
HETATM   30  C26 UNL     1      -6.368   0.359  -0.737  1.00  0.00           C  
HETATM   31  O5  UNL     1      -7.712   0.301  -0.309  1.00  0.00           O  
HETATM   32  C27 UNL     1      -4.051   0.380   0.258  1.00  0.00           C  
HETATM   33  C28 UNL     1      -3.707   1.594  -0.542  1.00  0.00           C  
HETATM   34  C29 UNL     1      -2.290   1.983  -0.183  1.00  0.00           C  
HETATM   35  C30 UNL     1       7.839  -1.615  -0.368  1.00  0.00           C  
HETATM   36  O6  UNL     1       7.565  -2.735  -0.866  1.00  0.00           O  
HETATM   37  O7  UNL     1       8.644  -0.767  -1.113  1.00  0.00           O  
HETATM   38  H1  UNL     1       7.167  -2.979   2.107  1.00  0.00           H  
HETATM   39  H2  UNL     1       5.881  -1.706   2.387  1.00  0.00           H  
HETATM   40  H3  UNL     1       5.871  -2.809   0.899  1.00  0.00           H  
HETATM   41  H4  UNL     1       8.235  -1.055   1.615  1.00  0.00           H  
HETATM   42  H5  UNL     1       6.483   0.459   1.954  1.00  0.00           H  
HETATM   43  H6  UNL     1       7.349   0.867   0.439  1.00  0.00           H  
HETATM   44  H7  UNL     1       5.203   2.076  -0.515  1.00  0.00           H  
HETATM   45  H8  UNL     1       4.457   1.854   1.076  1.00  0.00           H  
HETATM   46  H9  UNL     1       2.897   2.252  -0.814  1.00  0.00           H  
HETATM   47  H10 UNL     1       4.760   1.069  -2.269  1.00  0.00           H  
HETATM   48  H11 UNL     1       3.736  -0.352  -2.114  1.00  0.00           H  
HETATM   49  H12 UNL     1       3.122   1.244  -2.862  1.00  0.00           H  
HETATM   50  H13 UNL     1       2.808  -0.719  -0.009  1.00  0.00           H  
HETATM   51  H14 UNL     1       2.441   1.561   1.748  1.00  0.00           H  
HETATM   52  H15 UNL     1       2.357  -0.165   2.110  1.00  0.00           H  
HETATM   53  H16 UNL     1       0.054  -0.305   1.888  1.00  0.00           H  
HETATM   54  H17 UNL     1       0.658   1.520   3.292  1.00  0.00           H  
HETATM   55  H18 UNL     1       0.590   2.834  -1.028  1.00  0.00           H  
HETATM   56  H19 UNL     1       1.197   2.811   0.734  1.00  0.00           H  
HETATM   57  H20 UNL     1      -0.489   3.079   0.346  1.00  0.00           H  
HETATM   58  H21 UNL     1       1.047  -1.963  -1.071  1.00  0.00           H  
HETATM   59  H22 UNL     1       0.934  -1.656   0.658  1.00  0.00           H  
HETATM   60  H23 UNL     1       0.824   1.313  -2.478  1.00  0.00           H  
HETATM   61  H24 UNL     1      -0.231  -0.082  -2.331  1.00  0.00           H  
HETATM   62  H25 UNL     1       1.457  -0.437  -2.637  1.00  0.00           H  
HETATM   63  H26 UNL     1      -4.064  -0.361  -2.339  1.00  0.00           H  
HETATM   64  H27 UNL     1      -4.404  -1.997  -1.739  1.00  0.00           H  
HETATM   65  H28 UNL     1      -2.776  -1.563  -2.281  1.00  0.00           H  
HETATM   66  H29 UNL     1      -2.509  -2.207   1.160  1.00  0.00           H  
HETATM   67  H30 UNL     1      -3.719  -2.853   0.030  1.00  0.00           H  
HETATM   68  H31 UNL     1      -4.134  -1.020   2.464  1.00  0.00           H  
HETATM   69  H32 UNL     1      -4.755  -2.684   2.148  1.00  0.00           H  
HETATM   70  H33 UNL     1      -6.504  -1.087   1.952  1.00  0.00           H  
HETATM   71  H34 UNL     1      -5.765  -2.918   0.219  1.00  0.00           H  
HETATM   72  H35 UNL     1      -6.870   0.865   2.013  1.00  0.00           H  
HETATM   73  H36 UNL     1      -6.294   2.156   0.943  1.00  0.00           H  
HETATM   74  H37 UNL     1      -5.150   1.479   2.199  1.00  0.00           H  
HETATM   75  H38 UNL     1      -6.283  -0.509  -1.455  1.00  0.00           H  
HETATM   76  H39 UNL     1      -6.240   1.330  -1.227  1.00  0.00           H  
HETATM   77  H40 UNL     1      -7.743  -0.249   0.512  1.00  0.00           H  
HETATM   78  H41 UNL     1      -3.597   0.553   1.281  1.00  0.00           H  
HETATM   79  H42 UNL     1      -4.379   2.422  -0.167  1.00  0.00           H  
HETATM   80  H43 UNL     1      -3.876   1.527  -1.615  1.00  0.00           H  
HETATM   81  H44 UNL     1      -2.355   2.472   0.810  1.00  0.00           H  
HETATM   82  H45 UNL     1      -1.922   2.626  -0.996  1.00  0.00           H  
HETATM   83  H46 UNL     1       8.324   0.068  -1.559  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3   35   41
CONECT    3    4   42   43
CONECT    4    5    5    6
CONECT    6    7   44   45
CONECT    7    8    9   46
CONECT    8   47   48   49
CONECT    9   10   20   50
CONECT   10   11   51   52
CONECT   11   12   13   53
CONECT   12   54
CONECT   13   14   15   20
CONECT   14   55   56   57
CONECT   15   16   16   34
CONECT   16   17   22
CONECT   17   18   18   19
CONECT   19   20   58   59
CONECT   20   21
CONECT   21   60   61   62
CONECT   22   23   24   32
CONECT   23   63   64   65
CONECT   24   25   66   67
CONECT   25   26   68   69
CONECT   26   27   28   70
CONECT   27   71
CONECT   28   29   30   32
CONECT   29   72   73   74
CONECT   30   31   75   76
CONECT   31   77
CONECT   32   33   78
CONECT   33   34   79   80
CONECT   34   81   82
CONECT   35   36   36   37
CONECT   37   83
END
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SMILES for HMDB0039691 (Ganolucidic acid C)

CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3
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INCHI for HMDB0039691 (Ganolucidic acid C)

InChI=1S/C30H46O7/c1-16(11-18(32)12-17(2)26(36)37)20-13-24(35)30(6)19-7-8-22-27(3,10-9-23(34)28(22,4)15-31)25(19)21(33)14-29(20,30)5/h16-17,20,22-24,31,34-35H,7-15H2,1-6H3,(H,36,37)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Ganolucidate CGenerator
3beta,15alpha,29-Trihydroxy-11,23-dioxo-5alpha-lanost-8-en-26-Oic acidHMDB
6-[5,12-Dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoateGenerator
Chemical FormulaC30H46O7
Average Molecular Weight518.682
Monoisotopic Molecular Weight518.324353826
IUPAC Name6-[5,12-dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid
Traditional Name6-[5,12-dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-2-methyl-4-oxoheptanoic acid
CAS Registry Number100440-27-5
SMILES
CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3
InChI Identifier
InChI=1S/C30H46O7/c1-16(11-18(32)12-17(2)26(36)37)20-13-24(35)30(6)19-7-8-22-27(3,10-9-23(34)28(22,4)15-31)25(19)21(33)14-29(20,30)5/h16-17,20,22-24,31,34-35H,7-15H2,1-6H3,(H,36,37)
InChI KeyFMQZBQQCIZBLHW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTriterpenoids
Direct ParentTriterpenoids
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.01 g/LALOGPS
logP3.17ALOGPS
logP2.69ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)4.35ChemAxon
pKa (Strongest Basic)-0.44ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area132.13 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity140.01 m³·mol⁻¹ChemAxon
Polarizability57.96 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+217.10731661259
DarkChem[M-H]-212.2331661259
DeepCCS[M-2H]-253.75730932474
DeepCCS[M+Na]+229.18130932474
AllCCS[M+H]+221.132859911
AllCCS[M+H-H2O]+219.632859911
AllCCS[M+NH4]+222.432859911
AllCCS[M+Na]+222.732859911
AllCCS[M-H]-220.732859911
AllCCS[M+Na-2H]-223.632859911
AllCCS[M+HCOO]-226.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Ganolucidic acid CCC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC34605.3Standard polar33892256
Ganolucidic acid CCC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC33391.7Standard non polar33892256
Ganolucidic acid CCC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC34368.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ganolucidic acid C,1TMS,isomer #1CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C4280.4Semi standard non polar33892256
Ganolucidic acid C,1TMS,isomer #2CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O4248.2Semi standard non polar33892256
Ganolucidic acid C,1TMS,isomer #3CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)C(=O)O4313.2Semi standard non polar33892256
Ganolucidic acid C,1TMS,isomer #4CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O4273.6Semi standard non polar33892256
Ganolucidic acid C,1TMS,isomer #5CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O4298.9Semi standard non polar33892256
Ganolucidic acid C,1TMS,isomer #6CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O4319.3Semi standard non polar33892256
Ganolucidic acid C,1TMS,isomer #7CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O4141.0Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #1CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C4150.6Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #10CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O4150.0Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #11CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O3981.7Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #12CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O4236.0Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #13CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O4252.0Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #14CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O4244.1Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #15CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)C(=O)O4029.9Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #16CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O4216.0Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #17CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O4206.7Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #18CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O3984.0Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #19CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O4054.2Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #2CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C4240.9Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #20CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O4073.0Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #3CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C4206.2Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #4CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4235.3Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #5CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4222.8Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #6CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C4049.3Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #7CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)C(=O)O4139.5Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #8CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O4096.7Semi standard non polar33892256
Ganolucidic acid C,2TMS,isomer #9CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O4163.1Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #1CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C4014.6Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #10CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4078.1Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #11CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4069.6Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #12CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C3903.0Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #13CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3949.7Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #14CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3938.4Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #15CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O3980.1Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #16CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O3984.7Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #17CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O3974.6Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #18CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)C(=O)O3834.0Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #19CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3942.5Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #2CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C3979.8Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #20CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3933.9Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #21CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O3797.5Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #22CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O3876.5Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #23CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O3867.0Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #24CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O4099.4Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #25CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O4095.2Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #26CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O3894.3Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #27CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O3923.6Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #28CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O3919.1Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #29CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3887.8Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #3CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4017.1Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #30CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3885.0Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #4CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3994.4Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #5CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C3872.9Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #6CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C4144.6Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #7CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4120.3Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #8CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4112.3Semi standard non polar33892256
Ganolucidic acid C,3TMS,isomer #9CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C3938.6Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #1CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C3886.0Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #10CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3972.8Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #11CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3969.7Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #12CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C3836.7Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #13CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3837.9Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #14CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3842.6Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #15CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3806.5Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #16CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3810.2Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #17CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3840.1Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #18CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3828.2Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #19CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O3753.0Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #2CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3886.2Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #20CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O3778.2Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #21CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O3780.7Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #22CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3744.4Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #23CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3743.1Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #24CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3820.9Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #25CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3824.0Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #3CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3864.4Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #4CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C3785.9Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #5CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3847.9Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #6CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3825.0Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #7CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C3755.6Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #8CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3796.2Semi standard non polar33892256
Ganolucidic acid C,4TMS,isomer #9CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3796.8Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #1CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3772.0Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #1CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4005.0Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #10CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3696.1Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #10CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3891.1Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #11CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3699.4Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #11CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O3925.8Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #2CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3756.7Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #2CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4009.6Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #3CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C3709.5Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #3CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)C(=O)O[Si](C)(C)C3913.3Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #4CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3724.6Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #4CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3943.5Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #5CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3717.2Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #5CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3949.7Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #6CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3700.6Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #6CC(CC(=CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4004.3Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #7CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3695.5Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #7CC(C=C(CC(C)C1CC(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4009.9Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #8CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3756.5Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #8CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3997.3Standard non polar33892256
Ganolucidic acid C,5TMS,isomer #9CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3756.2Semi standard non polar33892256
Ganolucidic acid C,5TMS,isomer #9CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C)C(C)(CO[Si](C)(C)C)C1CC3)O[Si](C)(C)C)C(=O)O[Si](C)(C)C4004.2Standard non polar33892256
Ganolucidic acid C,1TBDMS,isomer #1CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4530.4Semi standard non polar33892256
Ganolucidic acid C,1TBDMS,isomer #2CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O4473.2Semi standard non polar33892256
Ganolucidic acid C,1TBDMS,isomer #3CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)C(=O)O4530.9Semi standard non polar33892256
Ganolucidic acid C,1TBDMS,isomer #4CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O4510.5Semi standard non polar33892256
Ganolucidic acid C,1TBDMS,isomer #5CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4527.7Semi standard non polar33892256
Ganolucidic acid C,1TBDMS,isomer #6CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4549.5Semi standard non polar33892256
Ganolucidic acid C,1TBDMS,isomer #7CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O4388.4Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #1CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4639.1Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #10CC(C=C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4623.8Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #11CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O4446.8Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #12CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O4718.4Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #13CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4734.2Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #14CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4721.9Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #15CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)C(=O)O4496.6Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #16CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4709.3Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #17CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4694.3Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #18CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O4469.6Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #19CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4526.9Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #2CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4741.3Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #20CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4549.2Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #3CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4719.7Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #4CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4724.4Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #5CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4716.8Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #6CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4533.8Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #7CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)C(=O)O4598.9Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #8CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O4575.6Semi standard non polar33892256
Ganolucidic acid C,2TBDMS,isomer #9CC(CC(=CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4640.1Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #1CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4765.4Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #10CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4800.3Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #11CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4793.8Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #12CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4595.1Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #13CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4609.1Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #14CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4597.4Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #15CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O4714.1Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #16CC(CC(=CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4723.7Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #17CC(C=C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4710.4Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #18CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)C(=O)O4539.4Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #19CC(CC(=CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4689.1Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #2CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4736.2Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #20CC(C=C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4678.3Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #21CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O4506.3Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #22CC(CC(=CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4557.5Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #23CC(C=C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4546.5Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #24CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4834.5Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #25CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4825.6Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #26CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O4599.0Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #27CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4606.4Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #28CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4598.3Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #29CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4568.2Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #3CC(CC(=CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4725.0Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #30CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O4560.7Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #4CC(C=C(CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4712.1Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #5CC(CC(=O)CC(C)C1CC(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4567.9Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #6CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO[Si](C)(C)C(C)(C)C)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4872.6Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #7CC(CC(=CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4835.9Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #8CC(C=C(CC(C)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4831.6Semi standard non polar33892256
Ganolucidic acid C,3TBDMS,isomer #9CC(CC(=O)CC(C)C1CC(O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=CC12C)C1(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(CO)C1CC3)C(=O)O[Si](C)(C)C(C)(C)C4634.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ganolucidic acid C GC-MS (Non-derivatized) - 70eV, Positivesplash10-0f79-2014920000-474e0358c73c05d486702017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ganolucidic acid C GC-MS (2 TMS) - 70eV, Positivesplash10-0002-3100249000-2e6d40a011a61008dc0f2017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 10V, Positive-QTOFsplash10-0ue9-1000970000-72e002f8f7e7513e26aa2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 20V, Positive-QTOFsplash10-001i-1001910000-6ad36dd3c568ca1a4d912015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 40V, Positive-QTOFsplash10-0a4u-6204900000-52d66f47331b85867d1c2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 10V, Negative-QTOFsplash10-014j-0000970000-e965796db6abfac96bfa2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 20V, Negative-QTOFsplash10-0601-4100910000-5949e47c481c88a8715c2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 40V, Negative-QTOFsplash10-052f-7001900000-3aa7011d31ecb410dd122015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 10V, Positive-QTOFsplash10-00sc-1209430000-e652ada588b7807ef34e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 20V, Positive-QTOFsplash10-01x9-4609500000-40bb8e074bc0e672e04f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 40V, Positive-QTOFsplash10-059f-9426200000-447bc796f0ba70922d5e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 10V, Negative-QTOFsplash10-014i-0000290000-17dce83f6f5543d6967f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 20V, Negative-QTOFsplash10-0079-2006910000-60443c4c739be711fe0c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ganolucidic acid C 40V, Negative-QTOFsplash10-07ra-4008900000-b284abb624448413234a2021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB019320
KNApSAcK IDC00023872
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14109400
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. 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 ]
  3. 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 ]
  4. 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 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.