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CHEBI:145071 - dihydrostemphyloxin I
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ChEBI Name
dihydrostemphyloxin I
ChEBI ID
CHEBI:145071
Definition
An octahydronaphthalene that is stemphyloxin I in which the C=C bond of the enol moiety has been reduced to a C‒C bond.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C21H36O6
Net Charge
0
Average Mass
384.513
Monoisotopic Mass
384.25119
InChI
InChI=1S/C21H36O6/c1-
6-
13(11-
23)
17-
20(4,15(24)
7-
8-
22)
16-
12(2)
9-
19(3,26)
10-
14(16)
18(25)
21(17,5)
27/h12-
14,16-
17,22-
23,26-
27H,6-
11H2,1-
5H3/t12-
,13+,14+,16+,17-
,19-
,20-
,21+/m1/s1
InChIKey
UUOFDWJUPVQCFZ-BSXWIJKXSA-N
SMILES
[C@]1([C@H]([C@](C([C@@]2([C@@]1([C@@H](C[C@](C2)(O)C)C)[H])[H])=O)(C)O)[C@@H](CC)CO)(C(=O)CCO)C
Roles Classification
Biological Role
(s):
fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dihydrostemphyloxin I (
CHEBI:145071
)
has functional parent
stemphyloxin I (
CHEBI:145070
)
dihydrostemphyloxin I (
CHEBI:145071
)
has role
fungal metabolite (
CHEBI:76946
)
dihydrostemphyloxin I (
CHEBI:145071
)
is a
α-hydroxy ketone (
CHEBI:139588
)
dihydrostemphyloxin I (
CHEBI:145071
)
is a
β-hydroxy ketone (
CHEBI:55380
)
dihydrostemphyloxin I (
CHEBI:145071
)
is a
cyclic ketone (
CHEBI:3992
)
dihydrostemphyloxin I (
CHEBI:145071
)
is a
diketone (
CHEBI:46640
)
dihydrostemphyloxin I (
CHEBI:145071
)
is a
octahydronaphthalenes (
CHEBI:138397
)
dihydrostemphyloxin I (
CHEBI:145071
)
is a
primary alcohol (
CHEBI:15734
)
dihydrostemphyloxin I (
CHEBI:145071
)
is a
tertiary alcohol (
CHEBI:26878
)
dihydrostemphyloxin I (
CHEBI:145071
)
is a
tetrol (
CHEBI:33573
)
IUPAC Name
(2
S
,3
R
,4
R
,4a
S
,5
R
,7
R
,8a
S
)-
2,7-
dihydroxy-
3-
[(2
R
)-
1-
hydroxybutan-
2-
yl]-
4-
(3-
hydroxypropanoyl)-
2,4,5,7-
tetramethyloctahydronaphthalen-
1(2
H
)-
one
Citation
Type
Source
31553484
PubMed citation
SUBMITTER
Last Modified
16 October 2019