KEGG   COMPOUND: C08771Help
Entry
C08771                      Compound                               

Name
Neoquassin
Formula
C22H30O6
Exact mass
390.2042
Mol weight
390.47
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010611 Nortriterpenoids
     C08771  Neoquassin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Dammarenes
    C08771  Neoquassin
BRITE hierarchy
Other DBs
CAS: 76-77-7
PubChem: 10964
ChEBI: 7512
ChEMBL: CHEMBL517757
LIPIDMAPS: LMPR0106110001
KNApSAcK: C00003720
3DMET: B05289
NIKKAJI: J4.184J
KCF data Show

ATOM        28
            1   C1z C    27.2179  -16.3157
            2   C1y C    26.0167  -15.6101
            3   C1y C    27.2122  -17.7153
            4   C1y C    28.4368  -15.6334
            5   C1a C    27.7663  -14.9103
            6   C1z C    24.8036  -16.3040
            7   C5x C    26.0283  -14.2105
            8   C1x C    26.0050  -18.4151
            9   O2x O    28.4194  -18.4268
            10  C2y C    28.4485  -14.2338
            11  C1x C    29.6499  -16.3333
            12  C1y C    24.7978  -17.7037
            13  C5x C    23.5906  -15.6042
            14  C1a C    24.7862  -15.1786
            15  C2y C    27.2413  -13.5223
            16  O5x O    24.8212  -13.2190
            17  C1y C    29.7082  -17.7329
            18  C1a C    29.6673  -13.5397
            19  C1y C    23.5906  -18.4094
            20  C2y C    22.3718  -16.3040
            21  O5x O    23.5906  -14.2045
            22  O2a O    27.2530  -12.1169
            23  O1a O    30.8454  -18.4502
            24  C2x C    22.3718  -17.7037
            25  C1a C    23.5906  -19.8148
            26  O2a O    21.1588  -15.6042
            27  C1a C    28.4601  -11.4054
            28  C1a C    19.9341  -16.2923
BOND        31
            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
            9     4  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1 #Up
            14    7  15 1
            15    7  16 2
            16    9  17 1
            17   10  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 2
            21   15  22 1
            22   17  23 1
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   22  27 1
            27   26  28 1
            28    8  12 1
            29   10  15 2
            30   11  17 1
            31   20  24 2

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