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.
Supplier Information
Download Molfile XML SDF
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 Waiting for Citations 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);