CHEBI:70613 - ligupersin A

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ChEBI Name ligupersin A
ChEBI ID CHEBI:70613
Definition A natural product found in Ferula gumosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H28O5
Net Charge 0
Average Mass 396.47610
Monoisotopic Mass 396.19367
InChI InChI=1S/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3/t17-,20-,22-,24+/m1/s1
InChIKey HIQLOIOGTRDMIW-QSOCRCLWSA-N
SMILES [H][C@]12C(=O)C=C(C)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@]1(C)CC[C@@H](O)C2(C)C
Metabolite of Species Details
Ferula gumosa (NCBI:txid371349) Found in root (BTO:0001188). The plant powder was extracted with MeOH 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 ligupersin A (CHEBI:70613) has role metabolite (CHEBI:25212)
ligupersin A (CHEBI:70613) is a coumarins (CHEBI:23403)
Citation Waiting for Citations Type Source
20961138 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:1-benzopyran(CHEBI:38443); ISA:aromatic ether(CHEBI:35618); ISA:pyranone(CHEBI:37963); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:organic hydroxy compound(CHEBI:33822); ISA:lactone(CHEBI:25000); ISA:secondary alcohol(CHEBI:35681); ISA:ketone(CHEBI:17087);