COMPOUND: C16269
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Entry
C16269 Compound
Name
(+)-epi-Isozizaene;
(3S,3aR,6S)-3,7,7,8-Tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Mol file
KCF file
DB search
Reaction
R07830
R08851
R08853
R10072
Pathway
map00909
Sesquiterpenoid and triterpenoid biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.14.15.39
4.2.3.37
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0103 C15 isoprenoids (sesquiterpenes)
PR010370 Zizaane and prezizaane sesquiterpenoids
C16269 (+)-epi-Isozizaene
Phytochemical compounds [BR:
br08003
]
Terpenoids
Sesquiterpenoids (C15)
Bisabolanes
C16269 (+)-epi-Isozizaene
BRITE hierarchy
Other DBs
PubChem:
47205577
ChEBI:
51458
LIPIDMAPS:
LMPR0103700005
PDB-CCD:
EL3
[
PDBj
]
NIKKAJI:
J2.799.299D
LinkDB
All DBs
KCF data
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ATOM 15
1 C1z C 23.0764 -18.6469
2 C2y C 23.0764 -20.0139
3 C2y C 24.2604 -20.6975
4 C1z C 25.4443 -20.0139
5 C1y C 25.4443 -18.6469
6 C1y C 21.7763 -18.2245
7 C1x C 20.9728 -19.3304
8 C1x C 21.7763 -20.4364
9 C1x C 24.3969 -18.2932
10 C1x C 25.1025 -17.0748
11 C1x C 23.4539 -17.0753
12 C1a C 24.2604 -22.0644
13 C1a C 21.3576 -16.9359
14 C1a C 26.7966 -19.6516
15 C1a C 26.4342 -21.0039
BOND 17
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 6 1
6 6 7 1
7 7 8 1
8 2 8 1
9 1 9 1 #Up
10 5 9 1 #Up
11 5 10 1
12 1 11 1
13 11 10 1
14 3 12 1
15 6 13 1 #Down
16 4 14 1
17 4 15 1
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