KEGG   COMPOUND: C22051
Entry
C22051                      Compound                               

Name
8alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oate
Formula
C15H22O3
Exact mass
250.1569
Mol weight
250.3334
Structure
Reaction
Enzyme
Other DBs
PubChem: 384585111
ChEBI: 182507
KCF data

ATOM        18
            1   C2x C    17.3288  -14.6847
            2   C2y C    18.4423  -13.7800
            3   C1x C    19.7646  -14.1280
            4   C1y C    20.3909  -15.3807
            5   C2x C    17.3288  -16.0766
            6   C1y C    19.7646  -16.6333
            7   C1x C    18.4423  -16.9117
            8   C1x C    16.0066  -14.1976
            9   C1x C    15.1715  -15.3807
            10  C2y C    16.0066  -16.4941
            11  C1a C    15.5890  -17.8164
            12  C1a C    18.1639  -12.3882
            13  C2c C    20.6693  -17.6772
            14  C6a C    20.1125  -18.9995
            15  C2a C    22.0611  -17.4684
            16  O6a O    18.7207  -19.2082
            17  O6a O    21.0172  -20.0433
            18  O1a O    21.7764  -15.1964
BOND        18
            1     3   4 1
            2     4   6 1
            3     2   3 1
            4     5   7 1
            5     1   2 2
            6     6   7 1
            7     1   8 1
            8     8   9 1
            9     9  10 1
            10    5  10 2
            11   10  11 1
            12    2  12 1
            13    6  13 1 #Up
            14   13  14 1
            15   13  15 2
            16   14  16 2
            17   14  17 1
            18    4  18 1 #Down

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