COMPOUND: C21660
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Entry
C21660 Compound
Name
(+)-Isoafricanol;
(1aS,4aR,5R,7aS,7bR)-3,3,5,7b-Tetramethyldecahydro-4aH-cyclopropa[e]azulen-4a-ol
Formula
C15H26O
Exact mass
222.1984
Mol weight
222.37
Structure
Mol file
KCF file
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Reaction
R11822
Enzyme
4.2.3.157
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0103 C15 isoprenoids (sesquiterpenes)
PR010347 Africanane sesquiterpenoids
C21660 (+)-Isoafricanol
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Other DBs
PubChem:
350078237
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KCF data
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ATOM 16
1 C1y C 12.2600 -15.5247
2 C1z C 13.3567 -14.6610
3 C1y C 14.7221 -14.9724
4 C1x C 15.3240 -16.2256
5 C1z C 12.2600 -16.9337
6 C1z C 14.7230 -17.4929
7 C1x C 13.3567 -17.8045
8 C1x C 10.9200 -15.0893
9 C1x C 10.0918 -16.2292
10 C1y C 10.9200 -17.3691
11 C1a C 10.4900 -18.6923
12 C1x C 14.3466 -13.6710
13 C1a C 12.4175 -13.6040
14 O1a O 11.8977 -18.2860
15 C1a C 15.0853 -18.8452
16 C1a C 16.0753 -17.8552
BOND 18
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 10 11 1 #Down
13 2 12 1 #Down
14 3 12 1 #Down
15 2 13 1 #Up
16 5 14 1 #Down
17 6 15 1
18 6 16 1
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