KEGG   COMPOUND: C09289
Entry
C09289                      Compound                               

Name
Alantolactone
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
     C09289  Alantolactone
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Eudesmanes
    C09289  Alantolactone
Other DBs
CAS: 546-43-0
PubChem: 11480
ChEBI: 2540
ChEMBL: CHEMBL136356
LIPIDMAPS: LMPR0103190013
KNApSAcK: C00012893
3DMET: B02833
NIKKAJI: J13.573I
KCF data

ATOM        17
            1   C1z C    26.5811  -17.1407
            2   C2y C    26.5751  -18.5356
            3   C1x C    27.7957  -16.4492
            4   C1x C    25.3785  -16.4432
            5   C1a C    26.5690  -15.7458
            6   C2x C    27.7837  -19.2451
            7   C1y C    25.3785  -19.2390
            8   C1x C    24.1640  -17.1407
            9   C1x C    24.1640  -18.5356
            10  C1a C    25.3605  -20.6340
            11  C1y C    29.0117  -17.1480
            12  C1y C    28.9861  -18.5416
            13  C2y C    30.3034  -18.9967
            14  C7x C    31.1432  -17.8842
            15  O7x O    30.3449  -16.7418
            16  O6a O    32.5814  -17.8407
            17  C2a C    30.7228  -20.3726
BOND        19
            1     3  11 1
            2     4   8 1
            3     6  12 1
            4     7   9 1
            5     7  10 1 #Up
            6     8   9 1
            7     1   2 1
            8     1   3 1
            9     1   4 1
            10    1   5 1 #Up
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  11 1
            16    2   6 2
            17   14  16 2
            18    2   7 1
            19   13  17 2

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