KEGG   COMPOUND: C09743Help
Entry
C09743                      Compound                               

Name
Valerenic acid
Formula
C15H22O2
Exact mass
234.162
Mol weight
234.334
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010346 Valerenane sesquiterpenoids
     C09743  Valerenic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09743  Valerenic acid
BRITE hierarchy
Other DBs
CAS: 3569-10-6
PubChem: 11931
ChEBI: 9921
ChEMBL: CHEMBL1545045
KNApSAcK: C00003197
3DMET: B03242
NIKKAJI: J14.796F
LinkDB All DBs
KCF data Show

ATOM        17
            1   C1y C    18.4815  -16.5396
            2   C1x C    19.6854  -15.8529
            3   C2b C    18.4815  -17.9432
            4   C1y C    18.4815  -13.7500
            5   C1x C    19.6854  -14.4494
            6   C2c C    19.6854  -18.6312
            7   C1a C    18.4815  -12.3520
            8   C1a C    20.8951  -17.9316
            9   C6a C    19.6912  -20.0288
            10  C2y C    17.2668  -15.8465
            11  C1y C    17.2715  -14.4494
            12  C1x C    15.9416  -14.0073
            13  C1x C    15.1176  -15.1372
            14  C2y C    15.9342  -16.2728
            15  C1a C    15.4839  -17.6489
            16  O6a O    20.8867  -20.7125
            17  O6a O    18.4699  -20.7409
BOND        18
            1     3   6 2
            2     4   7 1 #Down
            3     6   8 1
            4     6   9 1
            5     4   5 1
            6    10   1 1
            7     1   2 1
            8     1   3 1 #Up
            9    11   4 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  10 2
            15    2   5 1
            16   14  15 1
            17    9  16 1
            18    9  17 2

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