COMPOUND: C21733
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Entry
C21733 Compound
Name
Pre-alpha-onocerin;
(21S)-21,22-Epoxypolypoda-8(26)-13,17-trien-3beta-ol
Formula
C30H50O2
Exact mass
442.3811
Mol weight
442.72
Structure
Mol file
KCF file
DB search
Reaction
R11867
R11868
Enzyme
5.4.99.65
5.4.99.66
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR01 Isoprenoids
PR0106 C30 isoprenoids (triterpenes)
PR010624 Polypodane, malabaricane and podiodane triterpenoids
C21733 Pre-alpha-onocerin
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Other DBs
PubChem:
350078310
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KCF data
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ATOM 32
1 C2b C 20.3700 -16.5200
2 C2c C 21.6300 -15.8200
3 C1b C 22.8200 -16.5200
4 C1b C 24.0100 -15.8200
5 C2b C 25.2700 -16.5200
6 C2c C 26.4600 -15.8200
7 C1b C 27.6500 -16.5200
8 C1b C 28.9100 -15.8200
9 C1a C 26.4600 -14.4200
10 C1a C 21.6300 -14.4200
11 C1y C 30.1000 -16.5200
12 C1z C 31.5000 -16.5200
13 O2x O 30.8000 -17.7100
14 C1a C 32.6900 -15.8200
15 C1a C 32.5500 -17.5000
16 C1z C 16.7300 -18.6200
17 C1y C 16.7300 -19.9500
18 C1y C 17.9900 -17.9200
19 C1x C 15.5400 -17.9200
20 C1a C 16.7300 -17.2200
21 C1z C 15.5400 -20.6500
22 C1x C 17.9200 -20.6500
23 C2y C 19.1100 -18.6200
24 C1x C 14.3500 -18.6200
25 C1y C 14.3500 -19.9500
26 C1a C 16.1700 -22.1900
27 C1a C 14.9800 -22.1900
28 C1x C 19.1100 -20.0200
29 C1b C 19.1800 -15.8200
30 C1b C 17.9900 -16.5200
31 O1a O 13.1600 -20.7200
32 C2a C 20.3000 -17.9200
BOND 34
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 2
6 6 7 1
7 7 8 1
8 6 9 1
9 2 10 1
10 8 11 1
11 11 12 1
12 12 13 1
13 11 13 1 #Up
14 12 14 1
15 12 15 1
16 16 17 1
17 16 18 1
18 16 19 1
19 16 20 1 #Up
20 17 21 1
21 17 22 1
22 18 23 1
23 19 24 1
24 21 25 1
25 21 26 1
26 21 27 1
27 22 28 1
28 23 28 1
29 24 25 1
30 1 29 1
31 29 30 1
32 18 30 1 #Up
33 25 31 1 #Up
34 23 32 2
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