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CHEBI:70325 - 6-epi-clusianone, (rel)-
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ChEBI Ontology
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ChEBI Name
6-epi-clusianone, (rel)-
ChEBI ID
CHEBI:70325
Definition
A natural product found in
Rheedia edulis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C33H42O4
Net Charge
0
Average Mass
502.68420
Monoisotopic Mass
502.30831
InChI
InChI=1S/C33H42O4/c1-
21(2)
14-
15-
25-
20-
32(18-
16-
22(3)
4)
28(35)
26(27(34)
24-
12-
10-
9-
11-
13-
24)
29(36)
33(30(32)
37,31(25,7)
8)
19-
17-
23(5)
6/h9-
14,16-
17,25,35H,15,18-
20H2,1-
8H3/t25-
,32-
,33+/m1/s1
InChIKey
JXKKYQPCNJMAHZ-BJEYHHSBSA-N
SMILES
CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C
Metabolite of Species
Details
Rheedia edulis
(NCBI:txid156481)
Found in seed
(BTO:0001226)
. MeOH extract of powdered seeds See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
6-epi-clusianone, (rel)- (
CHEBI:70325
)
has role
metabolite (
CHEBI:25212
)
6-epi-clusianone, (rel)- (
CHEBI:70325
)
is a
monoterpenoid (
CHEBI:25409
)
Synonym
Source
rel-
(1R,5R,7R)-
3-
benzoyl-
4-
hydroxy-
8,8-
dimethyl-
1,5,7-
tris(3-
methylbut-
2-
en-
1-
yl)bicyclo[3.3.1]non-
3-
ene-
2,9-
dione
ChEBI
Manual Xref
Database
23326959
ChemSpider
View more database links
Citation
Type
Source
21028890
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:monoterpenoid(CHEBI:25409); ISA:acetophenones(CHEBI:22187); ISA:m-quinone(CHEBI:25099); ISA:aromatic ketone(CHEBI:76224); ISA:carbonyl compound(CHEBI:36586); ISA:cyclohexanones(CHEBI:23482); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352);