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CHEBI:90267 - 11β,13-dihydrolactucin
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ChEBI Name
11β,13-dihydrolactucin
ChEBI ID
CHEBI:90267
ChEBI ASCII Name
11beta,13-dihydrolactucin
Definition
A sesquiterpene lactone obtained by formal hydrogenation across the 11,13-double bond of lactucin. Found in chicory
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:90216
Supplier Information
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Formula
C15H18O5
Net Charge
0
Average Mass
278.301
Monoisotopic Mass
278.11542
InChI
InChI=1S/C15H18O5/c1-
6-
3-
9(17)
12-
7(2)
15(19)
20-
14(12)
13-
8(5-
16)
4-
10(18)
11(6)
13/h4,7,9,12-
14,16-
17H,3,5H2,1-
2H3/t7-
,9-
,12+,13-
,14-
/m0/s1
InChIKey
ZHZZKRDEPZMPLJ-WLVQVHLUSA-N
SMILES
OCC1=CC(=O)C=2[C@]1([C@]3(OC(=O)[C@@H](C)[C@@]3([C@@H](O)CC2C)[H])[H])[H]
Metabolite of Species
Details
Cichorium intybus
(NCBI:txid13427)
See:
MetaboLights Study
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
11β,13-dihydrolactucin (
CHEBI:90267
)
has functional parent
lactucin (
CHEBI:6358
)
11β,13-dihydrolactucin (
CHEBI:90267
)
has role
plant metabolite (
CHEBI:76924
)
11β,13-dihydrolactucin (
CHEBI:90267
)
is a
azulenofuran (
CHEBI:39433
)
11β,13-dihydrolactucin (
CHEBI:90267
)
is a
cyclic terpene ketone (
CHEBI:36130
)
11β,13-dihydrolactucin (
CHEBI:90267
)
is a
enone (
CHEBI:51689
)
11β,13-dihydrolactucin (
CHEBI:90267
)
is a
primary alcohol (
CHEBI:15734
)
11β,13-dihydrolactucin (
CHEBI:90267
)
is a
secondary alcohol (
CHEBI:35681
)
11β,13-dihydrolactucin (
CHEBI:90267
)
is a
sesquiterpene lactone (
CHEBI:37667
)
IUPAC Name
(3
S
,3a
R
,4
S
,9a
S
,9b
R
)-
4-
hydroxy-
9-
(hydroxymethyl)-
3,6-
dimethyl-
3,3a,4,5,9a,9b-
hexahydroazuleno[4,5-
b
]furan-
2,7-
dione
Synonym
Source
11,13-dihydrolactucin
ChEBI
Manual Xref
Database
C00020578
KNApSAcK
View more database links
Registry Number
Type
Source
5760815
Reaxys Registry Number
Reaxys
Last Modified
16 June 2016