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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:8265 - Plaunol B
Main
ChEBI Ontology
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ChEBI Name
Plaunol B
ChEBI ID
CHEBI:8265
Stars
This entity has been manually annotated by a third party.
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Formula
C20H20O6
Net Charge
0
Average Mass
356.370
Monoisotopic Mass
356.12599
InChI
InChI=1S/C20H20O6/c1-
11-
7-
16-
20(10-
21)
13(17(22)
26-
16)
3-
2-
4-
15(20)
19(11)
8-
14(25-
18(19)
23)
12-
5-
6-
24-
9-
12/h3,5-
6,9,14-
16,21H,1-
2,4,7-
8,10H2/t14-
,15+,16+,19+,20-
/m0/s1
InChIKey
GQRWYOWPTLFVDK-AFJOWOCMSA-N
SMILES
OC[C@@]12[C@H]3CC(=C)[C@]4(C[C@H](OC4=O)c4ccoc4)[C@H]1CCC=C2C(=O)O3
ChEBI Ontology
Outgoing
Plaunol B (
CHEBI:8265
)
is a
γ-lactone (
CHEBI:37581
)
Synonym
Source
Plaunol B
KEGG COMPOUND
Manual Xrefs
Databases
C00003471
KNApSAcK
C09166
KEGG COMPOUND
View more database links
Registry Number
Type
Source
69749-00-4
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014