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

ChEBI IDCHEBI:167713
ChEBI Name6'-chloromelleolide F(1−)
Stars
ASCII Name6'-chloromelleolide F(1-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC23H28ClO6
Net Charge-1
Average Mass435.924
Monoisotopic Mass435.15799
SMILES[H][C@]12CC(C)(C)C[C@@]1([H])C=C(CO)[C@]1(O)[C@H](OC(=O)c3c(O)cc([O-])c(Cl)c3C)C[C@]21C
InChIInChI=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
InChIKeyNSKSXJALDJPPSI-PPUVGZBRSA-M
ChEBI Ontology
Outgoing Relation(s)
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)
UniProt Name  Source
6'-chloromelleolide FUniProt
Citations