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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3578 - Chaparrinone
Main
ChEBI Ontology
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ChEBI Name
Chaparrinone
ChEBI ID
CHEBI:3578
Stars
This entity has been manually annotated by a third party.
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Formula
C20H26O7
Net Charge
0
Average Mass
378.417
Monoisotopic Mass
378.16785
InChI
InChI=1S/C20H26O7/c1-
8-
4-
12(21)
16(24)
18(3)
10(8)
5-
13-
19-
7-
26-
20(25,17(18)
19)
15(23)
9(2)
11(19)
6-
14(22)
27-
13/h4,9-
11,13,15-
17,23-
25H,5-
7H2,1-
3H3/t9-
,10+,11+,13-
,15-
,16-
,17-
,18-
,19-
,20+/m1/s1
InChIKey
VLYMLZRDCSQUQF-RZUZYEBMSA-N
SMILES
C[C@H]1[C@@H](O)[C@]2(O)OC[C@]34[C@H]2[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2C[C@H]3OC(=O)C[C@@H]14
ChEBI Ontology
Outgoing
Chaparrinone (
CHEBI:3578
)
is a
triterpenoid (
CHEBI:36615
)
Synonym
Source
Chaparrinone
KEGG COMPOUND
Manual Xrefs
Databases
C00003707
KNApSAcK
C08757
KEGG COMPOUND
View more database links
Registry Number
Type
Source
22611-34-3
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014