CHEBI:215672 - Ilicicolinal H

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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 Ilicicolinal H
ChEBI ID CHEBI:215672
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H31ClO4
Net Charge 0
Average Mass 406.950
Monoisotopic Mass 406.19109
InChI InChI=1S/C23H31ClO4/c1-14(2)8-6-9-15(3)10-7-11-23(5)19(26)12-17-21(27)20(24)16(4)18(13-25)22(17)28-23/h8,10,13,19,26-27H,6-7,9,11-12H2,1-5H3/b15-10+/t19-,23+/m0/s1
InChIKey HOTIAVDHASTISG-HHYXJYCZSA-N
SMILES ClC1=C(O)C2=C(O[C@@](CC/C=C(/CCC=C(C)C)\C)(C)[C@H](C2)O)C(=C1C)C=O
Metabolite of Species Details
Neonectria (NCBI:txid140106) See: PubMed
ChEBI Ontology
Outgoing Ilicicolinal H (CHEBI:215672) is a monoterpenoid (CHEBI:25409)
IUPAC Name
(2R,3S)-6-chloro-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-3,5-dihydroxy-2,7-dimethyl-3,4-dihydrochromene-8-carbaldehyde
Manual Xref Database
78443539 ChemSpider
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