CHEBI:217363 - Cylindrol A1

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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 A1
ChEBI ID CHEBI:217363
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H34O6
Net Charge 0
Average Mass 430.541
Monoisotopic Mass 430.23554
InChI InChI=1S/C25H34O6/c1-14(7-9-19-22(29)11-15(2)20(13-26)24(19)30)23(31-18(5)27)12-25(6)16(3)8-10-21(28)17(25)4/h7,11,13,16-17,23,29-30H,8-10,12H2,1-6H3/b14-7+/t16-,17+,23-,25+/m1/s1
InChIKey JBDGCQUQTRLHKA-XCWKDZIXSA-N
SMILES O=C1[C@@H]([C@]([C@H](C)CC1)(C[C@@H](OC(=O)C)/C(=C/CC2=C(O)C(=C(C)C=C2O)C=O)/C)C)C
Metabolite of Species Details
Cylindrocarpon lucidum (NCBI:txid301100) See: PubMed
ChEBI Ontology
Outgoing Cylindrol A1 (CHEBI:217363) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name
[(E,2R)-5-(3-ormyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-3-en-2-yl] acetate
Manual Xref Database
8916618 ChemSpider
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