COMPOUND: C08446
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Entry
C08446 Compound
Name
(E)-Dehydromatricaria ester;
trans-Dehydromatricaria ester;
(E)-2-Decene-4,6,8-triynoic acid methyl ester
Formula
C11H8O2
Exact mass
172.0524
Mol weight
172.18
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA07 Fatty esters
FA0710 Short fatty esters
C08446 (E)-Dehydromatricaria ester
BRITE hierarchy
Other DBs
CAS:
692-94-4
PubChem:
10639
ChEBI:
4366
LIPIDMAPS:
LMFA07010935
KNApSAcK:
C00001280
NIKKAJI:
J1.603.412F
J79.788J
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KCF data
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ATOM 13
1 C2b C 24.3263 -20.5881
2 C2b C 25.5438 -19.8858
3 C7a C 23.1147 -19.8917
4 C3b C 26.9425 -19.8858
5 O7a O 21.9032 -20.5881
6 O6a O 23.1147 -18.4930
7 C3b C 28.3472 -19.8800
8 C1a C 20.6917 -19.8917
9 C3b C 29.7460 -19.8742
10 C3b C 31.1449 -19.8683
11 C3b C 32.5437 -19.8683
12 C3b C 33.9483 -19.8625
13 C1a C 35.3471 -19.8566
BOND 12
1 1 2 2
2 1 3 1
3 2 4 1
4 3 5 1
5 3 6 2
6 4 7 3
7 5 8 1
8 7 9 1
9 9 10 3
10 10 11 1
11 11 12 3
12 12 13 1
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