CHEBI:189228 - Hesseltin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hesseltin F
ChEBI ID CHEBI:189228
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C25H32O6
Net Charge 0
Average Mass 428.525
Monoisotopic Mass 428.21989
InChI InChI=1S/C25H32O6/c1-6-7-8-9-15-14-16(26)18-19(28)20-23(4)11-10-17(27)22(2,3)25(23,29)13-12-24(20,5)31-21(18)30-15/h6-9,14,19-20,28-29H,10-13H2,1-5H3/b7-6+,9-8+/t19-,20+,23+,24+,25+/m0/s1
InChIKey NFIWDODYYNWZLI-OODONIFWSA-N
SMILES O[C@]12[C@@]([C@@]3([C@](OC=4OC(=CC(=O)C4[C@@H]3O)/C=C/C=C/C)(CC1)C)[H])(CCC(=O)C2(C)C)C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Hesseltin F (CHEBI:189228) is a organic heterotricyclic compound (CHEBI:26979)
Hesseltin F (CHEBI:189228) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(1S,2R,7S,10R,18R)-7,18-dihydroxy-2,6,6,10-tetramethyl-14-[(1E,3E)-penta-1,3-dienyl]-11,13-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),14-diene-5,16-dione
Manual Xref Database
78439986 ChemSpider
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