KEGG   COMPOUND: C09680Help
Entry
C09680                      Compound                               

Name
Hemigossypol
Formula
C15H16O4
Exact mass
260.1049
Mol weight
260.2851
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010333 Cadinane sesquiterpenoids
     C09680  Hemigossypol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09680  Hemigossypol
BRITE hierarchy
Other DBs
CAS: 40817-07-0
PubChem: 11870
ChEBI: 5654
ChEMBL: CHEMBL2271696
LIPIDMAPS: LMPR0103330004
KNApSAcK: C00003143
3DMET: B03188
NIKKAJI: J18.881F
KCF data Show

ATOM        19
            1   C8y C    28.8181  -17.6677
            2   C8y C    28.8181  -16.2654
            3   C8y C    30.0339  -18.3716
            4   C8x C    27.6078  -18.3716
            5   C8y C    30.0339  -15.5731
            6   C8y C    27.6078  -15.5731
            7   C8y C    31.2442  -17.6677
            8   C1c C    30.0339  -19.7680
            9   C8y C    26.3918  -17.6677
            10  C8y C    31.2442  -16.2654
            11  C4a C    30.0339  -14.1710
            12  C8x C    26.3918  -16.2654
            13  O1a O    27.6078  -14.1710
            14  O1a O    32.4543  -18.3716
            15  C1a C    28.8238  -20.4662
            16  C1a C    31.2499  -20.4662
            17  C1a C    25.1817  -18.3716
            18  O1a O    32.4543  -15.5731
            19  O4a O    31.2499  -13.4728
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 1
            16    9  17 1
            17   10  18 1
            18   11  19 2
            19    7  10 1
            20    9  12 1

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