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CHEBI:175496 - Erinacine E

ChEBI IDCHEBI:175496
ChEBI NameErinacine E
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FormulaC25H36O6
Net Charge0
Average Mass432.557
Monoisotopic Mass432.25119
SMILESCC(C)C1=C2C3CC=C4C(O)C5(O)COC6OC(C4C6(O)C5O)C3(C)CCC2(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
InChIKeyYUCYEVHMFBEBSC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Erinacine E (CHEBI:175496) is a diterpenoid (CHEBI:23849)
IUPAC Name 
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
HMDB0029656HMDB