CHEBI:220061 - 6'-chloro-13-hydroxy-dihydromelleolide

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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'-chloro-13-hydroxy-dihydromelleolide
ChEBI ID CHEBI:220061
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H29ClO7
Net Charge 0
Average Mass 452.930
Monoisotopic Mass 452.16018
InChI InChI=1S/C23H29ClO7/c1-11-17(13(26)5-14(27)18(11)24)19(28)31-16-8-21(4)15-7-20(2,3)10-22(15,29)6-12(9-25)23(16,21)30/h5-6,15-16,25-27,29-30H,7-10H2,1-4H3/t15-,16+,21-,22+,23+/m1/s1
InChIKey SETJNSDQZJKGBR-OCAABVOHSA-N
SMILES ClC1=C(O)C=C(O)C(=C1C)C(=O)O[C@@H]2[C@@]3(O)C(=C[C@]4(O)CC(C[C@@H]4[C@@]3(C)C2)(C)C)CO
Metabolite of Species Details
Armillariaspecies (NCBI:txid1906949) See: PubMed
ChEBI Ontology
Outgoing 6'-chloro-13-hydroxy-dihydromelleolide (CHEBI:220061) is a benzoate ester (CHEBI:36054)
6'-chloro-13-hydroxy-dihydromelleolide (CHEBI:220061) is a sesquiterpenoid (CHEBI:26658)