CHEBI:205501 - Cylindrol A4

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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 Cylindrol A4
ChEBI ID CHEBI:205501
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H39ClO6
Net Charge 0
Average Mass 507.060
Monoisotopic Mass 506.24352
InChI InChI=1S/C28H39ClO6/c1-15(2)12-24(32)35-23(13-28(7)17(4)9-11-22(31)19(28)6)16(3)8-10-20-26(33)21(14-30)18(5)25(29)27(20)34/h8,14-15,17,19,23,33-34H,9-13H2,1-7H3/b16-8+/t17-,19+,23-,28+/m1/s1
InChIKey CJUHWKPMXGYAGR-CVGSNDQKSA-N
SMILES ClC1=C(O)C(=C(O)C(=C1C)C=O)C/C=C(/[C@H](OC(=O)CC(C)C)C[C@@]2([C@H](C(=O)CC[C@H]2C)C)C)\C
Metabolite of Species Details
Cylindrocarpon lucidum (NCBI:txid301100) See: PubMed
ChEBI Ontology
Outgoing Cylindrol A4 (CHEBI:205501) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name
[(E,2R)-5-(3-chloro-5-ormyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] 3-methylbutanoate
Manual Xref Database
8919529 ChemSpider
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