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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:70324 - 6-epi-guttiferone J
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ChEBI Name
6-epi-guttiferone J
ChEBI ID
CHEBI:70324
Definition
A natural product found in
Rheedia edulis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C38H50O5
Net Charge
0
Average Mass
586.80060
Monoisotopic Mass
586.36582
InChI
InChI=1S/C38H50O5/c1-
24(2)
12-
11-
19-
36(9)
29(16-
15-
25(3)
4)
23-
37(20-
17-
26(5)
6)
33(41)
31(32(40)
28-
13-
10-
14-
30(39)
22-
28)
34(42)
38(36,35(37)
43)
21-
18-
27(7)
8/h10,12-
15,17-
18,22,29,39,41H,11,16,19-
21,23H2,1-
9H3/t29-
,36-
,37-
,38+/m0/s1
InChIKey
BRKJGVUPNGKMRP-RHOXKHGNSA-N
SMILES
CC(C)=CCC[C@@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]1(CC=C(C)C)C(=O)C(C(=O)c1cccc(O)c1)=C2O
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-guttiferone J (
CHEBI:70324
)
has role
metabolite (
CHEBI:25212
)
6-epi-guttiferone J (
CHEBI:70324
)
is a
monoterpenoid (
CHEBI:25409
)
Synonym
Source
(1S,5S,7S,8S)-
4-
Hydroxy-
3-
(3-
hydroxybenzoyl)-
8-
methyl-
1,5,7-
tris(3-
methyl-
2-
buten-
1-
yl)-
8-
(4-
methyl-
3-
penten-
1-
yl)bicyclo[3.3.1]non-
3-
ene-
2,9-
dione
ChEBI
Manual Xref
Database
28288247
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:aromatic ketone(CHEBI:76224); ISA:m-quinone(CHEBI:25099); ISA:carbonyl compound(CHEBI:36586); ISA:cyclohexanones(CHEBI:23482); ISA:phenols(CHEBI:33853); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);