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> Main
CHEBI:132826 - versicolactone B
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ChEBI Ontology
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ChEBI Name
versicolactone B
ChEBI ID
CHEBI:132826
Definition
A sesquiterpene lactone with formula C
15
H
22
O
3
that is isolated from
Viola yedoensis
and
Aristolochia versicolor
.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
qingping liu
Supplier Information
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Formula
C15H22O3
Net Charge
0
Average Mass
250.334
Monoisotopic Mass
250.15689
InChI
InChI=1S/C15H22O3/c1-
9(2)
12-
6-
4-
10(3)
13(16)
7-
5-
11-
8-
14(12)
18-
15(11)
17/h4,11-
14,16H,1,5-
8H2,2-
3H3/b10-
4+/t11-
,12-
,13+,14-
/m1/s1
InChIKey
COEDSYSRVAUHQU-GEHWQCAJSA-N
SMILES
[C@H]1([C@]2(C[C@H](C(O2)=O)CC[C@@H](C(=CC1)C)O)[H])C(C)=C
Metabolite of Species
Details
Aristolochia versicolar
(NCBI:txid1523942)
Found in root
(BTO:0001188)
. See:
PubMed
Viola yedoensis
(NCBI:txid316493)
Found in leaf
(BTO:0000713)
. 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
versicolactone B (
CHEBI:132826
)
has role
plant metabolite (
CHEBI:76924
)
versicolactone B (
CHEBI:132826
)
is a
germacrane sesquiterpenoid (
CHEBI:68588
)
versicolactone B (
CHEBI:132826
)
is a
olefinic compound (
CHEBI:78840
)
versicolactone B (
CHEBI:132826
)
is a
oxabicycloalkane (
CHEBI:46733
)
versicolactone B (
CHEBI:132826
)
is a
secondary alcohol (
CHEBI:35681
)
versicolactone B (
CHEBI:132826
)
is a
sesquiterpene lactone (
CHEBI:37667
)
IUPAC Name
(1
R
,4
S
,5
E
,8
R
,9
R
)-
4-
hydroxy-
5-
methyl-
8-
(prop-
1-
en-
2-
yl)-
10-
oxabicyclo[7.2.1]dodec-
5-
en-
11-
one
Manual Xref
Database
C00033470
KNApSAcK
View more database links
Registry Numbers
Types
Sources
104613-44-7
CAS Registry Number
ChemIDplus
27710224
Reaxys Registry Number
Reaxys
Citations
Types
Sources
25562805
PubMed citation
Europe PMC
3788595
PubMed citation
Europe PMC
Last Modified
24 January 2017