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CHEBI:226940 - Erinacine T

ChEBI IDCHEBI:226940
ChEBI NameErinacine T
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O7
Net Charge0
Average Mass450.572
Monoisotopic Mass450.26175
SMILESCC(C)C1=C2[C@H]3C[C@@H](O)C(C=O)=C[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@]3(C)CC[C@@]2(C)CC1
InChIInChI=1S/C25H38O7/c1-13(2)15-5-6-24(3)7-8-25(4)16(20(15)24)10-17(27)14(11-26)9-19(25)32-23-22(30)21(29)18(28)12-31-23/h9,11,13,16-19,21-23,27-30H,5-8,10,12H2,1-4H3/t16-,17-,18-,19+,21+,22-,23+,24-,25-/m1/s1
InChIKeyQLXVRMHCIDQLSG-BMMRGBERSA-N
Species of MetaboliteComponentSourceComments
Hericium erinaceus (ncbitaxon:91752) - PubMed (29780164)
ChEBI Ontology
Outgoing Relation(s)
Erinacine T (CHEBI:226940) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3aR,5aR,6S,9R,10aR)-9-hydroxy-3a,5a-dimethyl-1-propan-2-yl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,3,4,5,6,9,10,10a-octahydrocyclohepta[e]indene-8-carbaldehyde
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78438854ChemSpider