KEGG   COMPOUND: C09180
Entry
C09180                      Compound                               
Name
Rhodojaponin IV
Formula
C24H38O8
Exact mass
454.2567
Mol weight
454.5537
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010418 Leucothol and grayanotoxane diterpenoids
     C09180  Rhodojaponin IV
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Grayanoids
    C09180  Rhodojaponin IV
Other DBs
CAS: 30460-34-5
PubChem: 11372
ChEBI: 8833
KNApSAcK: C00003479
3DMET: B02747
NIKKAJI: J19.092F
KCF data

ATOM        32
            1   C1z C    26.5292  -14.8513
            2   C1y C    27.8363  -15.2638
            3   C1y C    26.2335  -13.5224
            4   C1x C    25.6649  -15.9149
            5   C1y C    28.8390  -14.3413
            6   O7a O    28.2606  -16.9272
            7   C1z C    25.0093  -12.9192
            8   C1x C    27.2375  -12.6001
            9   C1y C    24.3011  -15.9090
            10  C1x C    28.5444  -13.0123
            11  C1y C    23.8714  -13.5224
            12  C1z C    23.4590  -14.8293
            13  O7a O    24.2894  -17.2673
            14  C1x C    22.7577  -12.7341
            15  C1z C    22.0950  -14.8396
            16  O1a O    23.3074  -16.1874
            17  C1y C    21.6533  -13.5457
            18  C1a C    21.7975  -16.2807
            19  C1a C    20.9059  -15.5129
            20  O1a O    20.3535  -13.1462
            21  C1x C    26.8843  -16.1739
            22  C1z C    29.1928  -15.6529
            23  C1a C    30.5089  -16.0050
            24  O1a O    29.5447  -16.9693
            25  C7a C    27.5740  -18.1093
            26  C1a C    28.2636  -19.2848
            27  O6a O    26.2086  -18.1107
            28  C7a C    23.6116  -18.4402
            29  C1a C    24.2943  -19.6224
            30  O6a O    22.2461  -18.4417
            31  C1a C    25.6370  -11.3121
            32  O1a O    24.3591  -11.2421
BOND        35
            1    12  15 1
            2    12  16 1 #Up
            3    14  17 1
            4    15  18 1
            5    15  19 1
            6    17  20 1 #Up
            7     8  10 1
            8    11  12 1
            9    15  17 1
            10    1  21 1 #Up
            11    1   2 1
            12    5  22 1 #Up
            13   21  22 1
            14    1   3 1
            15   22  23 1 #Up
            16    1   4 1
            17   22  24 1 #Down
            18    2   5 1
            19    6  25 1
            20    2   6 1 #Up
            21   25  26 1
            22    3   7 1
            23   25  27 2
            24    3   8 1
            25   13  28 1
            26    4   9 1
            27   28  29 1
            28    5  10 1
            29   28  30 2
            30    7  11 1
            31    9  12 1
            32    7  31 1 #Up
            33    9  13 1 #Up
            34    7  32 1 #Down
            35   11  14 1

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