Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:68030 - 15-epi-Leosibirone B, (rel)-
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
15-epi-Leosibirone B, (rel)-
ChEBI ID
CHEBI:68030
Definition
A natural product found in
Leonurus sibiricus
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C22H34O7
Net Charge
0
Average Mass
410.50120
Monoisotopic Mass
410.23045
InChI
InChI=1S/C22H34O7/c1-
12-
16(25)
17(26)
18-
19(3,4)
14(28-
13(2)
23)
6-
7-
20(18,5)
22(12)
9-
8-
21(29-
22)
10-
15(24)
27-
11-
21/h12,14-
16,18,24-
25H,6-
11H2,1-
5H3/t12-
,14-
,15-
,16-
,18+,20+,21+,22-
/m1/s1
InChIKey
MVQVPUNXXBZCSY-NSNZHKFZSA-N
SMILES
[H][C@@]12C(=O)[C@H](O)[C@@H](C)[C@]3(CC[C@]4(CO[C@@H](O)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
15-epi-Leosibirone B, (rel)- (
CHEBI:68030
)
has role
metabolite (
CHEBI:25212
)
15-epi-Leosibirone B, (rel)- (
CHEBI:68030
)
is a
diterpenoid (
CHEBI:23849
)
Synonyms
Sources
15,16-diepoxy labd-6-one
ChEBI
rel-3alpha-acetoxy-7beta,15beta-dihydroxy-9alpha,13alpha
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:hemiacetal(CHEBI:5653); 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);