KEGG   COMPOUND: C11880
Entry
C11880                      Compound                               

Name
Neoabietadiene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       4.2.3.132
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010405 Abietane diterpenoids
     C11880  Neoabietadiene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Abietanes
    C11880  Neoabietadiene
Other DBs
CAS: 57119-12-7
PubChem: 14042
ChEBI: 29651
LIPIDMAPS: LMPR0104050003
3DMET: B04359
NIKKAJI: J776.732C
KCF data

ATOM        20
            1   C2y C    28.3476  -18.9605
            2   C1x C    25.9070  -18.9565
            3   C1x C    27.1464  -18.2640
            4   C2y C    27.0696  -21.0567
            5   C1y C    25.9073  -20.3557
            6   C1x C    25.8994  -23.1821
            7   C1x C    27.1248  -22.4675
            8   C2c C    29.5493  -18.2546
            9   C1y C    24.6892  -22.4722
            10  C1z C    24.7087  -21.0630
            11  C1x C    23.4980  -20.3413
            12  C1x C    22.2678  -21.0290
            13  C1x C    22.2484  -22.4382
            14  C1z C    23.4590  -23.1597
            15  C1a C    22.6722  -24.4150
            16  C1a C    24.6892  -19.6588
            17  C1a C    24.4207  -24.4943
            18  C2x C    28.3315  -20.3500
            19  C1a C    29.5385  -16.8611
            20  C1a C    30.7453  -18.9457
BOND        22
            1     4   7 1
            2     9  10 1
            3    10  11 1
            4    11  12 1
            5    12  13 1
            6    13  14 1
            7    14   9 1
            8    10   5 1
            9     5   4 1
            10   14  15 1
            11    1   8 2
            12   10  16 1 #Up
            13    5   2 1
            14   14  17 1
            15    1   3 1
            16    1  18 1
            17   18   4 2
            18    9   6 1
            19    8  19 1
            20    3   2 1
            21    8  20 1
            22    6   7 1

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