EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174658 - Rosmaricine

ChEBI IDCHEBI:174658
ChEBI NameRosmaricine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27NO4
Net Charge0
Average Mass345.439
Monoisotopic Mass345.19401
SMILESCC(C)c1cc2c(c(O)c1O)C13CCCC(C)(C)C1C(OC3=O)C2N
InChIInChI=1S/C20H27NO4/c1-9(2)10-8-11-12(15(23)14(10)22)20-7-5-6-19(3,4)17(20)16(13(11)21)25-18(20)24/h8-9,13,16-17,22-23H,5-7,21H2,1-4H3
InChIKeyNFXKGLBUURRKEA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Rosmaricine (CHEBI:174658) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
8-amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
Manual XrefsDatabases
HMDB0041446HMDB
293130ChemSpider