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CHEBI:220247 - Erinacine F

ChEBI IDCHEBI:220247
ChEBI NameErinacine F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O6
Net Charge0
Average Mass432.557
Monoisotopic Mass432.25119
SMILESCC(C)C1=C2[C@H]3CC=C4C(O)C5(O)COC6O[C@@H]([C@@H]4C6(O)C5O)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C25H36O6/c1-12(2)13-7-8-22(3)9-10-23(4)15(16(13)22)6-5-14-17-19(23)31-21-25(17,29)20(27)24(28,11-30-21)18(14)26/h5,12,15,17-21,26-29H,6-11H2,1-4H3/t15-,17-,18?,19+,20?,21?,22-,23-,24?,25?/m1/s1
InChIKeyYUCYEVHMFBEBSC-HYDKBBGFSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1016/0040-4039(96)01687-5)
ChEBI Ontology
Outgoing Relation(s)
Erinacine F (CHEBI:220247) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4R,9R,12R,13S,21R)-9,12-dimethyl-6-propan-2-yl-14,16-dioxahexacyclo[16.3.1.04,12.05,9.013,21.015,20]docosa-1,5-diene-18,19,20,22-tetrol
Manual XrefsDatabases
8518237ChemSpider