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> Main
CHEBI:132647 - futoenone
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ChEBI Name
futoenone
ChEBI ID
CHEBI:132647
Definition
A neolignan with formula C
20
H
20
O
5
that is isolated from
Magnolia sprengeri
and
Piper wallichii
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C20H20O5
Net Charge
0
Average Mass
340.371
Monoisotopic Mass
340.13107
InChI
InChI=1S/C20H20O5/c1-
11-
14(12-
3-
4-
16-
17(5-
12)
24-
10-
23-
16)
6-
13-
8-
20(11)
9-
18(22-
2)
15(21)
7-
19(20)
25-
13/h3-
5,7,9,11,13-
14H,6,8,10H2,1-
2H3/t11-
,13+,14+,20-
/m1/s1
InChIKey
SXHVHWXETMBKPP-KXXATPMCSA-N
SMILES
O1[C@@H]2C[C@@]3([C@@H]([C@H](C2)C4=CC=5OCOC5C=C4)C)C1=CC(=O)C(OC)=C3
Metabolite of Species
Details
Piper wallichii
(NCBI:txid450288)
Found in stem
(BTO:0001300)
. See:
PubMed
Magnolia
sp.
engeri
(NCBI:txid86737)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
futoenone (
CHEBI:132647
)
has role
plant metabolite (
CHEBI:76924
)
futoenone (
CHEBI:132647
)
is a
benzodioxoles (
CHEBI:38298
)
futoenone (
CHEBI:132647
)
is a
bridged compound (
CHEBI:35990
)
futoenone (
CHEBI:132647
)
is a
cyclic ketone (
CHEBI:3992
)
futoenone (
CHEBI:132647
)
is a
enol ether (
CHEBI:47985
)
futoenone (
CHEBI:132647
)
is a
enone (
CHEBI:51689
)
futoenone (
CHEBI:132647
)
is a
neolignan (
CHEBI:25497
)
futoenone (
CHEBI:132647
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
futoenone (
CHEBI:132647
)
is a
ring assembly (
CHEBI:36820
)
IUPAC Name
(2
S
,4
S
,5
R
,5a
S
)-
4-
(2
H
-
1,3-
benzodioxol-
5-
yl)-
7-
methoxy-
5-
methyl-
2,3,4,5-
tetrahydro-
8
H
-
2,5a-
methano-
1-
benzoxepin-
8-
one
Synonyms
Sources
(-)-Futoenone
KNApSAcK
OAS 1136
ChEBI
Manual Xref
Database
C00041535
KNApSAcK
View more database links
Registry Numbers
Types
Sources
19913-01-0
CAS Registry Number
KNApSAcK
6538259
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22080044
PubMed citation
Europe PMC
22734410
PubMed citation
Europe PMC
Last Modified
14 December 2016