CHEBI:206150 - Cylindrol A2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 A2
ChEBI ID CHEBI:206150
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H38O6
Net Charge 0
Average Mass 458.595
Monoisotopic Mass 458.26684
InChI InChI=1S/C27H38O6/c1-7-8-25(31)33-24(14-27(6)18(4)10-12-22(29)19(27)5)16(2)9-11-20-23(30)13-17(3)21(15-28)26(20)32/h9,13,15,18-19,24,30,32H,7-8,10-12,14H2,1-6H3/b16-9+/t18-,19+,24-,27+/m1/s1
InChIKey DBCUFKATVZDLLO-IIKQEKBQSA-N
SMILES O=C1[C@@H]([C@]([C@H](C)CC1)(C[C@@H](OC(=O)CCC)/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 A2 (CHEBI:206150) 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] butanoate
Manual Xref Database
8894051 ChemSpider
View more database links