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CHEBI:68026 - 13-epi-Preleosibirone
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ChEBI Name
13-epi-Preleosibirone
ChEBI ID
CHEBI:68026
Definition
A natural product found in
Leonurus sibiricus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C22H32O6
Net Charge
0
Average Mass
392.48590
Monoisotopic Mass
392.21989
InChI
InChI=1S/C22H32O6/c1-
13-
16(24)
17(25)
18-
19(3,4)
15(27-
14(2)
23)
6-
7-
20(18,5)
22(13)
9-
8-
21(28-
22)
10-
11-
26-
12-
21/h10-
11,13,15,17-
18,25H,6-
9,12H2,1-
5H3/t13-
,15-
,17-
,18+,20+,21-
,22-
/m1/s1
InChIKey
PHNDFJBMMYOJPB-IYANZZNRSA-N
SMILES
[H][C@@]12[C@H](O)C(=O)[C@@H](C)[C@]3(CC[C@@]4(COC=C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C
Metabolite of Species
Details
Leonurus sibiricus
(NCBI:txid405945)
Found in leaf
(BTO:0000713)
. Dried and powdered leaves were extracted with n-hexane 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
13-epi-Preleosibirone (
CHEBI:68026
)
has role
metabolite (
CHEBI:25212
)
13-epi-Preleosibirone (
CHEBI:68026
)
is a
diterpenoid (
CHEBI:23849
)
Synonyms
Sources
15,16-diepoxy-6beta-hydroxy labd-14-en-7-one
ChEBI
3alpha-acetoxy-9alpha,13R
ChEBI
Citation
Type
Source
21375312
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:cyclohexanones(CHEBI:23482); ISA:monosaccharide(CHEBI:35381); ISA:oxolanes(CHEBI:26912); ISA:dihydrofuran(CHEBI:51659); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);