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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:2932 - Austrobailignan 1
Main
ChEBI Ontology
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ChEBI Name
Austrobailignan 1
ChEBI ID
CHEBI:2932
Stars
This entity has been manually annotated by a third party.
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Formula
C21H18O7
Net Charge
0
Average Mass
382.364
Monoisotopic Mass
382.10525
InChI
InChI=1S/C21H18O7/c1-
23-
16-
4-
11(5-
17-
20(16)
28-
9-
27-
17)
18-
13-
6-
15-
14(25-
8-
26-
15)
3-
10(13)
2-
12-
7-
24-
21(22)
19(12)
18/h3-
6,12,18-
19H,2,7-
9H2,1H3/t12-
,18+,19-
/m0/s1
InChIKey
GROYKMASYUMFER-RQUSPXKASA-N
SMILES
COc1cc(cc2OCOc12)[C@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12
ChEBI Ontology
Outgoing
Austrobailignan 1 (
CHEBI:2932
)
is a
lactone (
CHEBI:25000
)
Austrobailignan 1 (
CHEBI:2932
)
is a
lignan (
CHEBI:25036
)
Synonym
Source
Austrobailignan 1
KEGG COMPOUND
Manual Xrefs
Databases
C00002589
KNApSAcK
C10546
KEGG COMPOUND
View more database links
Registry Number
Type
Source
55955-07-2
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014