KEGG   COMPOUND: C09061
Entry
C09061                      Compound                               
Name
Allogibberic acid
Formula
C18H20O3
Exact mass
284.1412
Mol weight
284.35
Structure
Other DBs
CAS: 427-79-2
PubChem: 11253
ChEBI: 2598
KNApSAcK: C00003402
NIKKAJI: J12.463J
LinkDB
KCF data

ATOM        21
            1   C8y C    26.3053  -18.1971
            2   C8y C    26.3011  -19.5174
            3   C1y C    27.4491  -20.1916
            4   C8x C    24.0125  -18.1971
            5   C8x C    24.0125  -19.5174
            6   C8y C    25.1625  -20.1809
            7   C8x C    25.1625  -17.5334
            8   C1y C    28.5911  -18.2042
            9   C1z C    28.5867  -19.5243
            10  C1x C    29.7278  -20.1978
            11  C1z C    30.8734  -19.5443
            12  C1x C    30.8849  -18.2242
            13  C1x C    29.7438  -17.5507
            14  C6a C    27.4504  -21.5188
            15  O6a O    26.3040  -22.3165
            16  O6a O    28.5982  -22.2442
            17  C1a C    25.0952  -21.3683
            18  C1x C    28.5731  -20.8446
            19  C2y C    30.8677  -20.8658
            20  C2a C    31.7908  -21.8065
            21  O1a O    32.0114  -20.2021
BOND        24
            1     4   5 1
            2     8   9 1
            3     9  10 1
            4    10  11 1
            5    11  12 1
            6    12  13 1
            7    13   8 1
            8     5   6 2
            9     6   2 1
            10    3  14 1 #Up
            11    1   7 1
            12   14  15 1
            13    7   4 2
            14   14  16 2
            15    8   1 1
            16    6  17 1
            17    9  18 1 #Up
            18    1   2 2
            19   11  19 1 #Up
            20   18  19 1
            21    2   3 1
            22   19  20 2
            23    3   9 1
            24   11  21 1

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