KEGG   COMPOUND: C11889Help
Entry
C11889                      Compound                               

Name
Neoabietic acid
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010405 Abietane diterpenoids
     C11889  Neoabietic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Abietanes
    C11889  Neoabietic acid
BRITE hierarchy
Other DBs
CAS: 471-77-2
PubChem: 14051
ChEBI: 29653
LIPIDMAPS: LMPR0104050004
3DMET: B04368
NIKKAJI: J67.044H
KCF data Show

ATOM        22
            1   C1z C    23.6733  -22.5554
            2   C6a C    23.3074  -23.8982
            3   C1a C    24.4429  -23.8982
            4   O6a O    24.2128  -24.9563
            5   O6a O    21.8819  -24.2594
            6   C2y C    28.5607  -18.3564
            7   C1x C    26.1229  -18.3538
            8   C1x C    27.3611  -17.6562
            9   C1y C    26.1231  -19.7508
            10  C1x C    26.1111  -22.5768
            11  C1x C    27.3404  -21.8579
            12  C2c C    29.7609  -17.6501
            13  C1y C    24.9056  -21.8681
            14  C1z C    24.9252  -20.4576
            15  C1x C    23.7123  -19.7344
            16  C1x C    22.4800  -20.4219
            17  C1x C    22.4606  -21.8324
            18  C1a C    24.9056  -19.0576
            19  C2x C    28.5435  -19.7471
            20  C2y C    27.3404  -20.4366
            21  C1a C    29.7538  -16.2569
            22  C1a C    30.9642  -18.3396
BOND        24
            1     2   5 2
            2     1   2 1 #Down
            3     1   3 1 #Up
            4     2   4 1
            5    15  16 1
            6    16  17 1
            7    17   1 1
            8     1  13 1
            9    14   9 1
            10    9  20 1
            11    8   7 1
            12    6  12 2
            13   14  18 1 #Up
            14    6  19 1
            15    9   7 1
            16   19  20 2
            17   13  10 1
            18   12  21 1
            19    6   8 1
            20   12  22 1
            21   10  11 1
            22   20  11 1
            23   13  14 1
            24   14  15 1

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