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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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CHEBI:4921 - Eupachlorin acetate
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ChEBI Ontology
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ChEBI Name
Eupachlorin acetate
ChEBI ID
CHEBI:4921
Stars
This entity has been manually annotated by a third party.
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Formula
C22H27ClO8
Net Charge
0
Average Mass
454.899
Monoisotopic Mass
454.13945
InChI
InChI=1S/C22H27ClO8/c1-
6-
10(2)
19(25)
30-
15-
8-
21(27,9-
23)
17-
14(29-
13(5)
24)
7-
11(3)
22(17,28)
18-
16(15)
12(4)
20(26)
31-
18/h6-
7,14-
18,27-
28H,4,8-
9H2,1-
3,5H3/b10-
6-
/t14-
,15-
,16-
,17+,18+,21+,22-
/m1/s1
InChIKey
WVTMFOWXYVFVDE-UPVVJIFBSA-N
SMILES
C\C=C(\C)C(=O)O[C@@H]1C[C@](O)(CCl)[C@@H]2[C@H](OC(C)=O)C=C(C)[C@]2(O)[C@H]2OC(=O)C(=C)[C@H]12
ChEBI Ontology
Outgoing
Eupachlorin acetate (
CHEBI:4921
)
is a
sesquiterpene lactone (
CHEBI:37667
)
Synonym
Source
Eupachlorin acetate
KEGG COMPOUND
Manual Xrefs
Databases
C00003264
KNApSAcK
C09417
KEGG COMPOUND
View more database links
Registry Number
Type
Source
20501-52-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014