COMPOUND: C19993
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Entry
C19993 Compound
Name
Virol A;
(8E,10E,12S)-8,10-Heptadecadiene-4,6-diyne-1,12-diol
Formula
C17H24O2
Exact mass
260.1776
Mol weight
260.37
Structure
Mol file
KCF file
DB search
Brite
Phytochemical compounds [BR:
br08003
]
Fatty acids related compounds
Fatty acids
Polyynes
C19993 Virol A
Natural toxins [BR:
br08009
]
Phytotoxins
Others
Polyynes
C19993 Virol A
BRITE hierarchy
Other DBs
PubChem:
135626459
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KCF data
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ATOM 19
1 C1b C 9.8000 -17.2200
2 C1b C 11.0124 -16.5200
3 C1b C 12.2249 -17.2200
4 C1b C 13.4373 -16.5200
5 C1c C 14.6497 -17.2200
6 C2b C 15.8622 -16.5200
7 C2b C 17.0746 -17.2200
8 C2b C 18.2870 -16.5200
9 C2b C 19.4995 -17.2200
10 C3b C 20.7119 -16.5200
11 C3b C 21.9244 -17.2200
12 C3b C 23.1368 -17.9200
13 C3b C 24.3492 -18.6200
14 C1b C 25.5617 -19.3200
15 C1b C 26.7653 -18.6250
16 C1b C 27.9565 -19.3129
17 O1a O 29.1460 -18.6261
18 O1a O 14.6497 -18.6199
19 C1a C 8.5876 -16.5200
BOND 18
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 10 11 3
11 11 12 1
12 12 13 3
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 1
17 5 18 1 #Up
18 1 19 1
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