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CHEBI:756 - 14-dihydroxycornestin

ChEBI IDCHEBI:756
ChEBI Name14-dihydroxycornestin
Stars
DefinitionA 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.
Last Modified6 February 2018
DownloadsMolfile
FormulaC16H20O6
Net Charge0
Average Mass308.330
Monoisotopic Mass308.12599
SMILESC/C=C1/CC2=C(C(=O)OC2=O)[C@@H](CCC)[C@H](O)C(=O)C[C@@H]1O
InChIInChI=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
InChIKeyILMHTGUGRLGMCR-LRIVTRFWSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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
CornexistinKEGG COMPOUND
Manual XrefsDatabases
C08483KEGG COMPOUND
EP0290193Patent
C00001306KNApSAcK
Registry NumbersSources
CAS:123068-35-9KEGG COMPOUND
Citations