COMPOUND: C11887
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Entry
C11887 Compound
Name
Abietal;
Abietaldehyde;
Abietinal;
Abieta-7,13-dien-18-al;
(1R,4aR,4bR,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbaldehyde
Formula
C20H30O
Exact mass
286.2297
Mol weight
286.4516
Structure
Mol file
KCF file
DB search
Reaction
R06354
R06357
R10078
R12123
Pathway
map00904
Diterpenoid biosynthesis
map01100
Metabolic pathways
map01110
Biosynthesis of secondary metabolites
Enzyme
1.2.1.74
1.14.14.145
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0104 C20 isoprenoids (diterpenes)
PR010405 Abietane diterpenoids
C11887 Abietal
BRITE hierarchy
Other DBs
CAS:
6704-50-3
PubChem:
14049
ChEBI:
29509
KNApSAcK:
C00000869
3DMET:
B04366
NIKKAJI:
J15.229C
LinkDB
All DBs
KCF data
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ATOM 21
1 C1z C 23.7111 -22.8737
2 C4a C 23.1337 -24.2216
3 C1a C 24.3421 -24.5016
4 O4a O 21.9901 -24.5773
5 C2y C 28.5896 -18.6792
6 C1x C 26.1563 -18.6697
7 C1x C 27.3852 -17.9835
8 C1y C 26.1565 -20.0721
9 C1x C 26.1443 -22.8952
10 C2x C 27.3713 -22.1877
11 C1c C 29.7944 -17.9774
12 C1y C 24.9412 -22.1908
13 C1z C 24.9537 -20.7819
14 C1x C 23.7503 -20.0557
15 C1x C 22.4503 -20.7459
16 C1x C 22.5006 -22.1548
17 C1a C 24.9412 -19.3762
18 C2x C 28.5793 -20.0613
19 C2y C 27.3713 -20.7537
20 C1a C 29.7875 -16.5787
21 C1a C 30.9883 -18.6627
BOND 23
1 2 4 2
2 1 2 1 #Down
3 1 3 1 #Up
4 13 14 1
5 14 15 1
6 15 16 1
7 16 1 1
8 1 12 1
9 13 8 1
10 8 19 1
11 7 6 1
12 5 11 1
13 13 17 1 #Up
14 5 18 2
15 8 6 1
16 18 19 1
17 12 9 1
18 11 20 1
19 5 7 1
20 11 21 1
21 9 10 1
22 19 10 2
23 12 13 1
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