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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:69822 - langduin A
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ChEBI Ontology
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ChEBI Name
langduin A
ChEBI ID
CHEBI:69822
Definition
A natural product found in
Euphorbia fischeriana
.
Stars
This entity has been manually annotated by a third party.
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Formula
C20H28O5
Net Charge
0
Average Mass
348.43330
Monoisotopic Mass
348.19367
InChI
InChI=1S/C20H28O5/c1-
10(2)
17-
14-
7-
13(9-
21)
8-
19(24)
16(5-
11(3)
18(19)
23)
20(14,25)
12(4)
6-
15(17)
22/h5,7,10,12,14,16-
17,21,24-
25H,6,8-
9H2,1-
4H3/t12-
,14+,16-
,17+,19-
,20-
/m1/s1
InChIKey
BGNXBPPAQJJLSA-QEUCBDMBSA-N
SMILES
[H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)CC(=O)[C@H]2C(C)C
Metabolite of Species
Details
Euphorbia fischeriana
(NCBI:txid1035560)
Found in whole plant
(BTO:0001461)
. 90% EtOH extract of dried and powdered plant 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
langduin A (
CHEBI:69822
)
has role
metabolite (
CHEBI:25212
)
langduin A (
CHEBI:69822
)
is a
diterpenoid (
CHEBI:23849
)
Citation
Type
Source
21534540
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:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:organic hydroxy compound(CHEBI:33822); ISA:primary alcohol(CHEBI:15734);