CHEBI:146158 - 16-hydroxy-ilicicolin A epoxide(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 16-hydroxy-ilicicolin A epoxide(1−)
ChEBI ID CHEBI:146158
ChEBI ASCII Name 16-hydroxy-ilicicolin A epoxide(1-)
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C23H30ClO5
Net Charge -1
Average Mass 421.940
Monoisotopic Mass 421.17873
InChI InChI=1S/C23H31ClO5/c1-13(7-6-8-14(2)18(26)11-19-23(4,5)29-19)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/p-1/b13-9+,14-8+/t18-,19-/m0/s1
InChIKey DQMDYVQTDVZQLV-UZFWGDPLSA-M
SMILES C=1(C(=C(C(=C(C1Cl)C)C=O)O)C/C=C(/CC/C=C(/[C@H](C[C@H]2C(C)(C)O2)O)\C)\C)[O-]
ChEBI Ontology
Outgoing 16-hydroxy-ilicicolin A epoxide(1−) (CHEBI:146158) is a phenolate anion (CHEBI:50525)
Synonym Source
16-hydroxy-ilicicolin A epoxide UniProt
Citation Waiting for Citations Type Source
30952781 PubMed citation SUBMITTER