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CHEBI:67825 - 17β,21β-epoxyhopan-3-one
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ChEBI Name
17β,21β-epoxyhopan-3-one
ChEBI ID
CHEBI:67825
ChEBI ASCII Name
17beta,21beta-epoxyhopan-3-one
Definition
A hopanoid that is hopan-3-one substituted by an epoxy group across positions 17 and 21. It has been isolated from the bark of
Cupania cinerea
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C30H48O2
Net Charge
0
Average Mass
440.712
Monoisotopic Mass
440.36543
InChI
InChI=1S/C30H48O2/c1-
19(2)
29-
17-
15-
28(8)
22-
10-
9-
21-
25(5)
13-
12-
23(31)
24(3,4)
20(25)
11-
14-
26(21,6)
27(22,7)
16-
18-
30(28,29)
32-
29/h19-
22H,9-
18H2,1-
8H3/t20-
,21+,22-
,25-
,26+,27+,28+,29-
,30-
/m0/s1
InChIKey
CMWZPPYBIGXKPR-LPSJIVJRSA-N
SMILES
[C@]
123[C@]
(CC[C@@]
1([C@@]
4([C@@]
([C@]
5([C@]
([C@@]
6([C@@]
(C(C(=O)
CC6)
(C)
C)
([H]
)
CC5)
C)
([H]
)
CC4)
C)
(C)
CC2)
[H]
)
C)
(C(C)
C)
O3
Metabolite of Species
Details
Cupania cinerea
(NCBI:txid298314)
Found in bark
(BTO:0001301)
. Crude n-hexane extract of dried and powdered bark 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
17β,21β-epoxyhopan-3-one (
CHEBI:67825
)
has role
plant metabolite (
CHEBI:76924
)
17β,21β-epoxyhopan-3-one (
CHEBI:67825
)
is a
cyclic terpene ketone (
CHEBI:36130
)
17β,21β-epoxyhopan-3-one (
CHEBI:67825
)
is a
epoxide (
CHEBI:32955
)
17β,21β-epoxyhopan-3-one (
CHEBI:67825
)
is a
hopanoid (
CHEBI:51963
)
IUPAC Name
17,21-epoxyhopan-3-one
Registry Number
Type
Source
9169944
Reaxys Registry Number
Reaxys
Citation
Type
Source
21438586
PubMed citation
Europe PMC
Last Modified
29 October 2019