EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:175660 - Erinacine G

ChEBI IDCHEBI:175660
ChEBI NameErinacine G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O8
Net Charge0
Average Mass464.555
Monoisotopic Mass464.24102
SMILES[H][C@@]12OC3OCC4(O)C(O)C(=CC[C@]5([H])C(=O)[C@](C)(CCC(=O)C(C)C)CC[C@@]15C)[C@@]2([H])C3(O)C4O
InChIInChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3/t14-,16-,17?,19+,20?,21?,22-,23-,24?,25?/m1/s1
InChIKeyHVLLJUVTXKLMKW-PWEREOCZSA-N
ChEBI Ontology
Outgoing Relation(s)
Erinacine G (CHEBI:175660) is a furopyran (CHEBI:74927)
IUPAC Name 
(6S,7R,10S,12S,16R)-1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.04,17.06,16.07,12]nonadec-14-en-11-one
Manual XrefsDatabases
8727483ChemSpider