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ChEBI
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CHEBI:65641 - Cleistanone(rac)
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ChEBI Name
Cleistanone(rac)
ChEBI ID
CHEBI:65641
Definition
A natural product found in
Cleistanthus collinus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H18O8
Net Charge
0
Average Mass
410.37350
Monoisotopic Mass
410.10017
InChI
InChI=1S/C22H18O8/c1-
25-
14-
7-
11-
12(8-
15(14)
26-
2)
20(23)
19-
18(21(24)
30-
22(19)
27-
3)
17(11)
10-
4-
5-
13-
16(6-
10)
29-
9-
28-
13/h4-
8,22-
23H,9H2,1-
3H3
InChIKey
XURLTFUKDPZAPN-UHFFFAOYSA-N
SMILES
COC1OC(=O)c2c1c(O)c1cc(OC)c(OC)cc1c2-c1ccc2OCOc2c1
Metabolite of Species
Details
Cleistanthus collinus
(NCBI:txid1357584)
Found in aerial part
(BTO:0001658)
. 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
Cleistanone(rac) (
CHEBI:65641
)
has role
metabolite (
CHEBI:25212
)
Cleistanone(rac) (
CHEBI:65641
)
is a
lignan (
CHEBI:25036
)
Synonym
Source
rac-
1-
hydroxy-
2a-
methoxy-
2-
(-
hydroxymethyl)-
6,7-
dimethoxy-
4-
(3,4-
methylenedioxy-
phenyl)-
3-
naphthoic acid-
gamma-
lactone
ChEBI
Citation
Type
Source
14600376
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:lignan(CHEBI:25036); ISA:lactone(CHEBI:25000); ISA:naphthofuran(CHEBI:39270); ISA:biphenyls(CHEBI:22888); ISA:naphthols(CHEBI:25392); ISA:hydroxybenzoic acid(CHEBI:24676); ISA:2-benzofurans(CHEBI:38831); ISA:benzodioxoles(CHEBI:38298); ISA:methoxybenzene(CHEBI:51683); ISA:phenols(CHEBI:33853); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:monocarboxylic acid(CHEBI:25384); ISA:acetal(CHEBI:59769); ISA:aromatic alcohol(CHEBI:33854); ISA:carbonyl compound(CHEBI:36586); ISA:organic anion(CHEBI:25696);