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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:2829 - Arnicolide A
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ChEBI Ontology
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ChEBI Name
Arnicolide A
ChEBI ID
CHEBI:2829
Stars
This entity has been manually annotated by a third party.
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Formula
C17H22O5
Net Charge
0
Average Mass
306.354
Monoisotopic Mass
306.14672
InChI
InChI=1S/C17H22O5/c1-
8-
7-
12-
14(9(2)
16(20)
22-
12)
15(21-
10(3)
18)
17(4)
11(8)
5-
6-
13(17)
19/h5-
6,8-
9,11-
12,14-
15H,7H2,1-
4H3/t8-
,9+,11+,12-
,14-
,15+,17+/m1/s1
InChIKey
NEIIKBWBBCJSQU-HESYKRBGSA-N
SMILES
C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(C)=O)OC1=O
ChEBI Ontology
Outgoing
Arnicolide A (
CHEBI:2829
)
is a
sesquiterpene lactone (
CHEBI:37667
)
Synonyms
Sources
Arnicolide A
KEGG COMPOUND
Dihydrohelenalin acatate
KEGG COMPOUND
Manual Xrefs
Databases
C00003217
KNApSAcK
C09299
KEGG COMPOUND
View more database links
Registry Number
Type
Source
36505-53-0
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014