KEGG   COMPOUND: C11880Help
Entry
C11880                      Compound                               

Name
Neoabietadiene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
CAS: 57119-12-7
PubChem: 14042
ChEBI: 29651
LIPIDMAPS: LMPR0104050003
3DMET: B04359
NIKKAJI: J776.732C
KCF data Show

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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