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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4923 - Eupacunin
Main
ChEBI Ontology
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ChEBI Name
Eupacunin
ChEBI ID
CHEBI:4923
Stars
This entity has been manually annotated by a third party.
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Formula
C22H28O7
Net Charge
0
Average Mass
404.454
Monoisotopic Mass
404.18350
InChI
InChI=1S/C22H28O7/c1-
7-
11(2)
21(25)
28-
18-
8-
12(3)
16(24)
10-
17(27-
15(6)
23)
13(4)
9-
19-
20(18)
14(5)
22(26)
29-
19/h7-
9,16-
20,24H,5,10H2,1-
4,6H3/b11-
7-
,12-
8-
,13-
9-
/t16-
,17-
,18+,19+,20+/m0/s1
InChIKey
LVPCBECJXWCROK-IYZBVFDJSA-N
SMILES
C\C=C(\C)C(=O)O[C@@H]1\C=C(C)/[C@@H](O)C[C@H](OC(C)=O)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12
ChEBI Ontology
Outgoing
Eupacunin (
CHEBI:4923
)
is a
germacranolide (
CHEBI:73011
)
Synonym
Source
Eupacunin
KEGG COMPOUND
Manual Xrefs
Databases
C00003266
KNApSAcK
C09427
KEGG COMPOUND
View more database links
Registry Number
Type
Source
33854-15-8
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014