KEGG   COMPOUND: C09105Help
Entry
C09105                      Compound                               

Name
Hallactone B
Formula
C20H24O9S
Exact mass
440.1141
Mol weight
440.4642
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Others
    C09105  Hallactone B
BRITE hierarchy
Other DBs
CAS: 35470-59-8
PubChem: 11297
ChEBI: 5607
KNApSAcK: C00000277
3DMET: B02686
NIKKAJI: J17.611G
KCF data Show

ATOM        30
            1   C1z C    26.2054  -15.7377
            2   C1y C    26.2112  -17.1286
            3   C2y C    25.0068  -15.0364
            4   O2x O    27.4096  -16.4214
            5   C1y C    27.4096  -15.0538
            6   C1y C    25.0068  -17.8067
            7   C1z C    23.8096  -15.7260
            8   C2x C    25.0185  -13.6512
            9   O7x O    27.4212  -13.6688
            10  C1d C    28.7421  -14.6921
            11  C1y C    23.8156  -17.1169
            12  C1x C    22.6053  -15.0305
            13  C1a C    23.7980  -14.3349
            14  C7x C    26.2228  -12.9673
            15  C1b C    29.7164  -13.3711
            16  C1a C    29.9453  -15.3876
            17  O1a O    30.0865  -14.3232
            18  C1z C    22.6053  -17.8067
            19  C1y C    21.4010  -15.7260
            20  O6a O    26.2345  -11.5823
            21  S4a S    29.7760  -12.0326
            22  C1y C    21.4010  -17.1169
            23  C1a C    21.3893  -18.4962
            24  O2x O    20.1909  -16.4273
            25  C1a C    29.7804  -10.5484
            26  O3c O    31.1669  -12.0326
            27  O3c O    28.3910  -12.0326
            28  O7x O    24.6388  -19.1606
            29  C7x C    22.9610  -19.1606
            30  O6a O    22.1028  -20.2812
BOND        35
            1     1   4 1 #Down
            2     1   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 2
            6     5   9 1
            7     5  10 1
            8     6  11 1
            9     7  12 1
            10    7  13 1 #Up
            11    8  14 1
            12   10  15 1
            13   10  16 1 #Up
            14   10  17 1 #Down
            15   11  18 1
            16   12  19 1
            17   14  20 2
            18   15  21 1
            19   18  22 1
            20   18  23 1 #Down
            21   19  24 1
            22   21  25 1
            23   21  26 2
            24   21  27 2
            25    2   4 1 #Down
            26    7  11 1
            27    9  14 1
            28   19  22 1
            29   22  24 1
            30    6  28 1
            31    1   2 1
            32   18  29 1
            33   29  28 1
            34    1   3 1
            35   29  30 2

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