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CHEBI:211214 - Erinacine R

ChEBI IDCHEBI:211214
ChEBI NameErinacine R
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H38O9
Net Charge0
Average Mass506.592
Monoisotopic Mass506.25158
SMILESCC(=O)O[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C=C1C=O
InChIInChI=1S/C27H38O9/c1-13(2)16-6-7-26(4)20(31)10-27(5)17(22(16)26)9-19(35-14(3)29)15(11-28)8-21(27)36-25-24(33)23(32)18(30)12-34-25/h8,11,13,17-19,21,23-25,30,32-33H,6-7,9-10,12H2,1-5H3/t17-,18-,19-,21+,23+,24-,25+,26-,27-/m1/s1
InChIKeySRARCXKPZDYZMB-GYGNKXPFSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - DOI (10.1515/znb-2008-1017)
ChEBI Ontology
Outgoing Relation(s)
Erinacine R (CHEBI:211214) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(3aS,5aR,6S,9R,10aR)-8-ormyl-3a,5a-dimethyl-4-oxo-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-3,5,6,9,10,10a-hexahydro-2H-cyclohepta[e]inden-9-yl] acetate
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