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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:582 - 1-Acetoxypinoresinol
Main
ChEBI Ontology
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ChEBI Name
1-Acetoxypinoresinol
ChEBI ID
CHEBI:582
Stars
This entity has been manually annotated by a third party.
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Formula
C22H24O8
Net Charge
0
Average Mass
416.422
Monoisotopic Mass
416.14712
InChI
InChI=1S/C22H24O8/c1-
12(23)
30-
22-
11-
29-
20(13-
4-
6-
16(24)
18(8-
13)
26-
2)
15(22)
10-
28-
21(22)
14-
5-
7-
17(25)
19(9-
14)
27-
3/h4-
9,15,20-
21,24-
25H,10-
11H2,1-
3H3/t15-
,20-
,21-
,22-
/m1/s1
InChIKey
NATDFORNCKZPCI-FPHUIIFBSA-N
SMILES
COc1cc(ccc1O)[C@H]1OC[C@@]2(OC(C)=O)[C@@H]1CO[C@@H]2c1ccc(O)c(OC)c1
ChEBI Ontology
Outgoing
1-Acetoxypinoresinol (
CHEBI:582
)
is a
lignan (
CHEBI:25036
)
Synonym
Source
1-Acetoxypinoresinol
KEGG COMPOUND
Manual Xrefs
Databases
C00002588
KNApSAcK
C10544
KEGG COMPOUND
View more database links
Registry Number
Type
Source
81426-14-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014