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> Main
CHEBI:69823 - langduin D
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ChEBI Name
langduin D
ChEBI ID
CHEBI:69823
Definition
A natural product found in
Euphorbia fischeriana
.
Stars
This entity has been manually annotated by a third party.
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Formula
C29H32O9
Net Charge
0
Average Mass
524.55900
Monoisotopic Mass
524.20463
InChI
InChI=1S/C29H32O9/c1-
13(30)
19-
17(35-
5)
12-
16-
14(20(19)
31)
11-
15-
21(32)
36-
23-
27-
10-
7-
18-
25(2,3)
8-
6-
9-
26(18,4)
22(27)
28(34,24(33)
38-
27)
29(15,23)
37-
16/h11-
12,18,22-
23,31,34H,6-
10H2,1-
5H3/t18-
,22+,23+,26-
,27+,28+,29?/m1/s1
InChIKey
XMCKQXKJWRGZMH-YTUCCQTESA-N
SMILES
[H]
[C@]
12CC[C@]
34OC(=O)
[C@@]
(O)
([C@@]
3([H]
)
[C@]
1(C)
CCCC2(C)
C)
C12Oc3cc(OC)
c(C(C)
=O)
c(O)
c3C=C1C(=O)
O[C@@]
42[H]
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 D (
CHEBI:69823
)
has role
metabolite (
CHEBI:25212
)
langduin D (
CHEBI:69823
)
is a
terpene lactone (
CHEBI:37668
)
Citation
Type
Source
21534540
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:sesquiterpenoid(CHEBI:26658); ISA:naphthofuran(CHEBI:39270); ISA:1-benzopyran(CHEBI:38443); ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:acetophenones(CHEBI:22187); ISA:furopyran(CHEBI:74927); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:aromatic ether(CHEBI:35618); ISA:delta-lactone(CHEBI:18946); ISA:pyrans(CHEBI:26407); ISA:oxanes(CHEBI:46942); ISA:dicarboxylic acid(CHEBI:35692); ISA:gamma-lactone(CHEBI:37581); ISA:furans(CHEBI:24129); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enoate ester(CHEBI:51702); ISA:oxolanes(CHEBI:26912); ISA:enol(CHEBI:33823); ISA:tertiary alcohol(CHEBI:26878); ISA:organic hydroxy compound(CHEBI:33822); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);