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CHEBI:217837 - Hyafurone A2

ChEBI IDCHEBI:217837
ChEBI NameHyafurone A2
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-KZJHSZOWSA-N
Species of MetaboliteComponentSourceComments
Hyalangium (ncbitaxon:224455) - PubMed (24848583)
ChEBI Ontology
Outgoing Relation(s)
Hyafurone A2 (CHEBI:217837) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
2-hydroxy-2,4-dimethyl-5-[(5E,7E,9E,11E)-2,4,14-trihydroxy-9,13,15-trimethyl-17-phenylheptadeca-5,7,9,11-tetraenyl]uran-3-one
Manual XrefsDatabases
34217211ChemSpider