KEGG   COMPOUND: C09475
Entry
C09475                      Compound                               
Name
Hiyodorilactone A
Formula
C22H28O8
Exact mass
420.1784
Mol weight
420.4529
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Germacrenes
    C09475  Hiyodorilactone A
Other DBs
CAS: 38458-58-1
PubChem: 11666
ChEBI: 5740
KNApSAcK: C00003299
3DMET: B03002
NIKKAJI: J16.510G
LinkDB
KCF data

ATOM        30
            1   C7a C    19.3283  -13.6261
            2   O7a O    20.7999  -12.7718
            3   C1a C    18.1319  -12.9341
            4   O6a O    19.3283  -15.0096
            5   O7a O    28.0151  -15.6418
            6   C7a C    29.1621  -14.8511
            7   C2c C    30.3656  -15.5428
            8   O6a O    29.1621  -13.4673
            9   C1y C    24.3476  -16.3461
            10  C2x C    23.0120  -16.0084
            11  C1y C    25.6890  -15.9852
            12  O7x O    24.3475  -17.7400
            13  C2y C    22.0390  -15.0166
            14  C1y C    26.6927  -15.0049
            15  C2y C    26.4589  -17.1455
            16  C7x C    25.5780  -18.2295
            17  C1x C    26.6984  -13.6168
            18  C2a C    27.6845  -17.4120
            19  O6a O    25.9460  -19.5709
            20  C1x C    23.2516  -12.9404
            21  C2y C    25.5031  -12.9228
            22  C2x C    24.3767  -13.7511
            23  C1b C    31.5619  -14.8511
            24  C2b C    30.3656  -16.9266
            25  C1b C    31.5619  -17.6183
            26  O1a O    32.7584  -15.5428
            27  O1a O    32.7584  -16.9266
            28  C1a C    25.5041  -11.6541
            29  C1y C    22.0415  -13.6320
            30  C1a C    20.7525  -15.5394
BOND        31
            1     9  11 1
            2     9  12 1
            3    10  13 2
            4    11  14 1
            5    11  15 1
            6    12  16 1
            7    13  29 1
            8    14  17 1
            9    15  18 2
            10   16  19 2
            11   17  21 1
            12   20  22 1
            13   15  16 1
            14   21  22 2
            15   14   5 1 #Up
            16    5   6 1
            17    7  23 1
            18    1   2 1
            19    7  24 2
            20    6   7 1
            21   24  25 1
            22    1   4 2
            23   23  26 1
            24    6   8 2
            25   25  27 1
            26   21  28 1
            27    1   3 1
            28   20  29 1
            29    9  10 1
            30   13  30 1
            31   29   2 1 #Up

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