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CHEBI:218888 - Eringiacetal B

ChEBI IDCHEBI:218888
ChEBI NameEringiacetal B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4
Net Charge0
Average Mass442.640
Monoisotopic Mass442.30831
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@]2(O)O[C@]1(C)CCC1=C2C(=O)C=C2C[C@@H](O)CC[C@@]21C
InChIInChI=1S/C28H42O4/c1-17(2)18(3)7-8-19(4)22-11-14-28(31)25-23(10-13-27(22,6)32-28)26(5)12-9-21(29)15-20(26)16-24(25)30/h7-8,16-19,21-22,29,31H,9-15H2,1-6H3/b8-7+/t18-,19+,21-,22+,26-,27+,28+/m0/s1
InChIKeyMMDBFASABGRZQE-ZSYDHOKOSA-N
Species of MetaboliteComponentSourceComments
Pleurotus eryngii (ncbitaxon:5323) - PubMed (28856887)
ChEBI Ontology
Outgoing Relation(s)
Eringiacetal B (CHEBI:218888) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,7S,10S,14R,15R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-1,7-dihydroxy-10,14-dimethyl-18-oxatetracyclo[12.3.1.02,11.05,10]octadeca-2(11),4-dien-3-one
Manual XrefsDatabases
78439467ChemSpider