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CHEBI:68028 - Leosibirone A
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ChEBI Ontology
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ChEBI Name
Leosibirone A
ChEBI ID
CHEBI:68028
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-
17(24)
18(25)
19-
20(3,4)
16(28-
14(2)
23)
7-
9-
21(19,5)
22(13,26)
10-
6-
15-
8-
11-
27-
12-
15/h8,11-
13,16,18-
19,25-
26H,6-
7,9-
10H2,1-
5H3/t13-
,16-
,18-
,19+,21+,22-
/m1/s1
InChIKey
RWOAGXCXGZWXLF-VCOBGZKZSA-N
SMILES
[H][C@@]12[C@H](O)C(=O)[C@@H](C)[C@](O)(CCc3ccoc3)[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
Leosibirone A (
CHEBI:68028
)
has role
metabolite (
CHEBI:25212
)
Leosibirone A (
CHEBI:68028
)
is a
diterpenoid (
CHEBI:23849
)
Synonym
Source
3alpha-acetoxy-15,16-epoxy-6beta,9alpha-dihydroxylabda-13(16),14-dien-7-one
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:tertiary alcohol(CHEBI:26878); ISA:furans(CHEBI:24129); ISA:carboxylic ester(CHEBI:33308); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352);