KEGG   COMPOUND: C09484
Entry
C09484                      Compound                               
Name
Isoalantolactone
Formula
C15H20O2
Exact mass
232.1463
Mol weight
232.3181
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010319 Eudesmane sesquiterpenoids
     C09484  Isoalantolactone
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Eudesmanes
    C09484  Isoalantolactone
Other DBs
CAS: 470-17-7
PubChem: 11675
ChEBI: 5981
KNApSAcK: C00003306
3DMET: B03010
NIKKAJI: J12.027H
KCF data

ATOM        17
            1   C1z C    23.6159  -14.5751
            2   C1y C    23.6101  -15.9731
            3   C1x C    24.8266  -13.8792
            4   C1x C    22.4052  -13.8732
            5   C1a C    23.5984  -13.1714
            6   C1x C    24.8149  -16.6748
            7   C2y C    22.4052  -16.6748
            8   C1y C    26.0373  -14.5811
            9   C1x C    21.1887  -14.5751
            10  C1y C    26.0256  -15.9905
            11  C1x C    21.1887  -15.9731
            12  C2a C    22.4111  -18.0727
            13  O7x O    27.3767  -14.1599
            14  C2y C    27.3591  -16.4351
            15  C7x C    28.1955  -15.3004
            16  C2a C    27.7860  -17.7686
            17  O6a O    29.5934  -15.3121
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     4   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 2
            12    8  13 1
            13   10  14 1
            14   13  15 1
            15   14  16 2
            16   15  17 2
            17    8  10 1
            18    9  11 1
            19   14  15 1

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