KEGG   COMPOUND: C08942
Entry
C08942                      Compound                               
Name
Echinocystic acid
Formula
C30H48O4
Exact mass
472.3553
Mol weight
472.6997
Structure
Reaction
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00971  QS-7 biosynthesis, 2,3-epoxysqualene => QS-7
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08942  Echinocystic acid
Other DBs
CAS: 510-30-5
PubChem: 11134
ChEBI: 4747
KNApSAcK: C00003516
3DMET: B02545
NIKKAJI: J14.013I
KCF data

ATOM        34
            1   C1z C    26.4631  -17.9364
            2   C1y C    25.2661  -17.2240
            3   C1y C    26.4514  -19.3318
            4   C1x C    27.6776  -17.2590
            5   C6a C    27.6659  -18.6371
            6   C2y C    23.9757  -17.9072
            7   C1x C    25.2836  -15.8343
            8   C1x C    25.2311  -20.0208
            9   O1a O    26.4338  -20.7332
            10  C1x C    27.6952  -15.8636
            11  O6a O    28.8746  -17.9247
            12  O6a O    27.6659  -20.0442
            13  C1z C    24.0281  -19.3027
            14  C2x C    22.8371  -17.2006
            15  C1z C    26.5039  -15.1453
            16  C1z C    22.8137  -20.0034
            17  C1a C    24.0165  -20.6982
            18  C1x C    21.6167  -17.8839
            19  C1a C    27.1929  -13.9249
            20  C1a C    25.7858  -13.9249
            21  C1y C    21.6050  -19.2851
            22  C1x C    22.8137  -21.3989
            23  C1a C    23.4320  -18.5903
            24  C1z C    20.3906  -19.9858
            25  C1x C    21.5933  -22.0938
            26  C1y C    20.3846  -21.3931
            27  C1x C    19.1759  -19.2793
            28  C1a C    20.3029  -18.5846
            29  C1z C    19.1759  -22.0879
            30  C1x C    17.9615  -19.9858
            31  C1y C    17.9615  -21.3931
            32  C1a C    18.4636  -23.5125
            33  C1a C    19.8880  -23.5825
            34  O1a O    16.7469  -22.0879
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 2
            14    7  15 1
            15   13  16 1
            16   13  17 1 #Down
            17   14  18 1
            18   15  19 1
            19   15  20 1
            20   16  21 1
            21   16  22 1
            22   16  23 1 #Up
            23   21  24 1
            24   22  25 1
            25   24  26 1
            26   24  27 1
            27   24  28 1 #Up
            28   26  29 1
            29   27  30 1
            30   29  31 1
            31   29  32 1
            32   29  33 1
            33   31  34 1 #Up
            34    8  13 1
            35   10  15 1
            36   18  21 1
            37   25  26 1
            38   30  31 1

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