KEGG   COMPOUND: C02533
Entry
C02533                      Compound                               

Name
Dehydrovomifoliol;
(6S)-6-Hydroxy-3-oxo-alpha-ionone
Formula
C13H18O3
Exact mass
222.1256
Mol weight
222.2802
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010305 Cyclofarnesane sesquiterpenoids
     C02533  Dehydrovomifoliol
Other DBs
CAS: 15764-81-5
PubChem: 5540
ChEBI: 4372
ChEMBL: CHEMBL461278
LIPIDMAPS: LMPR0103050009
KNApSAcK: C00029298
NIKKAJI: J14.882B
KCF data

ATOM        16
            1   C1z C    17.7520  -14.7816
            2   C1z C    16.5962  -14.0885
            3   C2y C    17.7520  -16.1936
            4   C2b C    19.0286  -14.0822
            5   O1a O    18.9457  -15.5512
            6   C1x C    15.3831  -14.7816
            7   C1a C    17.5717  -12.8837
            8   C1a C    15.7438  -12.9456
            9   C2x C    16.5962  -16.9059
            10  C1a C    18.8886  -16.8931
            11  C2b C    20.3050  -14.7753
            12  C5x C    15.3831  -16.1936
            13  C5a C    21.4415  -14.0756
            14  O5x O    14.1767  -16.8867
            15  C1a C    22.6545  -14.7687
            16  O5a O    21.4415  -12.8866
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1
            8     3   9 2
            9     3  10 1
            10    4  11 2
            11    6  12 1
            12   11  13 1
            13   12  14 2
            14   13  15 1
            15   13  16 2
            16    9  12 1

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