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CHEBI:198912 - Hyafurone A1

ChEBI IDCHEBI:198912
ChEBI NameHyafurone A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O6
Net Charge0
Average Mass524.698
Monoisotopic Mass524.31379
SMILESCC1=C(CC(O)CC(O)/C=C\C=C\C(C)=C\C=C\C(C)C(O)C(C)CCc2ccccc2)OC(C)(O)C1=O
InChIInChI=1S/C32H44O6/c1-22(13-11-14-23(2)30(35)24(3)18-19-26-15-7-6-8-16-26)12-9-10-17-27(33)20-28(34)21-29-25(4)31(36)32(5,37)38-29/h6-17,23-24,27-28,30,33-35,37H,18-21H2,1-5H3/b12-9+,14-11+,17-10-,22-13+
InChIKeyNMMBWYBMSULADK-DTRVTNFDSA-N
Species of MetaboliteComponentSourceComments
Hyalangium (ncbitaxon:224455) - PubMed (24848583)
ChEBI Ontology
Outgoing Relation(s)
Hyafurone A1 (CHEBI:198912) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
2-hydroxy-2,4-dimethyl-5-[(5Z,7E,9E,11E)-2,4,14-trihydroxy-9,13,15-trimethyl-17-phenylheptadeca-5,7,9,11-tetraenyl]uran-3-one
Manual XrefsDatabases
34217210ChemSpider