KEGG   COMPOUND: C15818
Entry
C15818                      Compound                               
Name
Soraphen O
Formula
C18H28O4
Exact mass
308.1988
Mol weight
308.4125
Structure
Sequence
0 Bnk  1 Mae  2 Mae  3 Mxk  4 Mae  5 Mtn
  Gene
0-3 sorA [UP:Q9ADL6]; 4-5 sorB [UP:Q53840]
  Organism
Polyangium cellulosum (Sorangium cellulosum)
  Type
PK
Other DBs
PubChem: 47205143
ChEBI: 80104
LinkDB
KCF data

ATOM        22
            1   C1b C    27.6073  -23.2434
            2   C1b C    27.6073  -24.6507
            3   C1b C    28.8261  -25.3544
            4   C1c C    30.0450  -23.2434
            5   C1b C    28.8261  -22.5397
            6   C1c C    31.2890  -22.5397
            7   C1b C    32.5079  -23.2434
            8   O1a O    30.0729  -27.4655
            9   C1c C    28.8542  -26.7618
            10  O1a O    31.2952  -21.1326
            11  O2a O    30.0388  -24.6503
            12  C8y C    27.6572  -27.4690
            13  C8x C    26.4455  -26.7854
            14  C8x C    25.2338  -27.5012
            15  C8x C    25.2478  -28.9084
            16  C8x C    26.4594  -29.5920
            17  C8x C    27.6712  -28.8763
            18  C1a C    31.5745  -25.8631
            19  C5a C    33.7006  -22.5544
            20  C1b C    34.8840  -23.2373
            21  C1a C    36.0771  -22.5481
            22  O5a O    33.7007  -21.1403
BOND        22
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     1   5 1
            5     4   6 1
            6     6   7 1
            7     8   9 1
            8     3   9 1
            9     6  10 1 #Up
            10    4  11 1 #Up
            11    9  12 1 #Up
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   12  17 1
            18   11  18 1
            19    7  19 1
            20   19  20 1
            21   20  21 1
            22   19  22 2

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