KEGG   COMPOUND: C11889
Entry
C11889                      Compound                               

Name
Neoabietic acid
Formula
C20H30O2
Exact mass
302.2246
Mol weight
302.451
Structure
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
Other DBs
CAS: 471-77-2
PubChem: 14051
ChEBI: 29653
LIPIDMAPS: LMPR0104050004
3DMET: B04368
NIKKAJI: J67.044H
KCF data

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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