CHEBI:756 - 14-dihydroxycornestin

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ChEBI Name 14-dihydroxycornestin
ChEBI ID CHEBI:756
Definition A cyclic dicarboxylic anhydride that is 5,6,7,8,9,10-hexahydro-1H-cyclonona[c]furan-1,3(4H)-dione substituted by an ethylidene group at position 9, hydroxy groups at position 5 and 8, a propyl group at position 4 and an oxo group at position 6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C16H20O6
Net Charge 0
Average Mass 308.32640
Monoisotopic Mass 308.12599
InChI InChI=1S/C16H20O6/c1-3-5-9-13-10(15(20)22-16(13)21)6-8(4-2)11(17)7-12(18)14(9)19/h4,9,11,14,17,19H,3,5-7H2,1-2H3/b8-4-/t9-,11+,14+/m1/s1
InChIKey ILMHTGUGRLGMCR-LRIVTRFWSA-N
SMILES CCC[C@H]1[C@H](O)C(=O)C[C@H](O)\C(CC2=C1C(=O)OC2=O)=C/C
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.
Application(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 14-dihydroxycornestin (CHEBI:756) has role herbicide (CHEBI:24527)
14-dihydroxycornestin (CHEBI:756) has role metabolite (CHEBI:25212)
14-dihydroxycornestin (CHEBI:756) is a cyclic dicarboxylic anhydride (CHEBI:36609)
14-dihydroxycornestin (CHEBI:756) is a organic heterobicyclic compound (CHEBI:27171)
14-dihydroxycornestin (CHEBI:756) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
(4R,5S,8S,9Z)-9-ethylidene-5,8-dihydroxy-4-propyl-4,5,7,8,9,10-hexahydro-1H-cyclonona[c]furan-1,3,6-trione
Synonym Source
Cornexistin KEGG COMPOUND
Manual Xrefs Databases
C00001306 KNApSAcK
C08483 KEGG COMPOUND
EP0290193 Patent
View more database links
Registry Number Type Source
123068-35-9 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
1955388 PubMed citation Europe PMC
IND20495852 Agricola citation Europe PMC
Last Modified
06 February 2018