CHEBI:167713 - 6'-chloromelleolide F(1−)

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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 6'-chloromelleolide F(1−)
ChEBI ID CHEBI:167713
ChEBI ASCII Name 6'-chloromelleolide F(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C23H28ClO6
Net Charge -1
Average Mass 435.920
Monoisotopic Mass 435.15799
InChI InChI=1S/C23H29ClO6/c1-11-18(15(26)6-16(27)19(11)24)20(28)30-17-9-22(4)14-8-21(2,3)7-12(14)5-13(10-25)23(17,22)29/h5-6,12,14,17,25-27,29H,7-10H2,1-4H3/p-1/t12-,14+,17-,22-,23+/m1/s1
InChIKey NSKSXJALDJPPSI-PPUVGZBRSA-M
SMILES C1=C([C@@]2([C@@H](C[C@@]2([C@@]3([C@]1(CC(C3)(C)C)[H])[H])C)OC(C4=C(C(=C(C=C4O)[O-])Cl)C)=O)O)CO
ChEBI Ontology
Outgoing 6'-chloromelleolide F(1−) (CHEBI:167713) is a carbotricyclic compound (CHEBI:38032)
6'-chloromelleolide F(1−) (CHEBI:167713) is a dihydroxybenzoate (CHEBI:36084)
6'-chloromelleolide F(1−) (CHEBI:167713) is a organochlorine compound (CHEBI:36683)
6'-chloromelleolide F(1−) (CHEBI:167713) is a sesquiterpene (CHEBI:35189)
Synonym Source
6'-chloromelleolide F UniProt
Citation Waiting for Citations Type Source
26655762 PubMed citation SUBMITTER