CHEBI:215677 - Ilicicolinic acid E

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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 Ilicicolinic acid E
ChEBI ID CHEBI:215677
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H35ClO6
Net Charge 0
Average Mass 442.980
Monoisotopic Mass 442.21222
InChI InChI=1S/C23H35ClO6/c1-14(8-6-12-23(5,30)13-7-11-22(3,4)29)9-10-16-19(25)17(21(27)28)15(2)18(24)20(16)26/h9,25-26,29-30H,6-8,10-13H2,1-5H3,(H,27,28)/b14-9+/t23-/m1/s1
InChIKey VPFRYSOYFPCGNZ-VTJDKEBTSA-N
SMILES ClC1=C(O)C(=C(O)C(=C1C)C(=O)O)C/C=C(/CCC[C@@](O)(CCCC(O)(C)C)C)\C
Metabolite of Species Details
Neonectria (NCBI:txid140106) See: PubMed
ChEBI Ontology
Outgoing Ilicicolinic acid E (CHEBI:215677) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
5-chloro-3-[(E)-7,11-dihydroxy-3,7,11-trimethyldodec-2-enyl]-2,4-dihydroxy-6-methylbenzoic acid
Manual Xref Database
78436086 ChemSpider
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