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CHEBI:3429 - Carnosol

ChEBI IDCHEBI:3429
ChEBI NameCarnosol
Stars
Last Modified26 February 2016
DownloadsMolfile
FormulaC20H26O4
Net Charge0
Average Mass330.424
Monoisotopic Mass330.18311
SMILES[H][C@@]12C[C@@H]3OC(=O)[C@@]1(CCCC2(C)C)c1c3cc(C(C)C)c(O)c1O
InChIInChI=1S/C20H26O4/c1-10(2)11-8-12-13-9-14-19(3,4)6-5-7-20(14,18(23)24-13)15(12)17(22)16(11)21/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14-,20+/m0/s1
InChIKeyXUSYGBPHQBWGAD-PJSUUKDQSA-N
ChEBI Ontology
Outgoing Relation(s)
Carnosol (CHEBI:3429) is a diterpenoid (CHEBI:23849)
Synonym  Source
CarnosolKEGG COMPOUND
Manual XrefsDatabases
C09069KEGG COMPOUND
C00003410KNApSAcK
LSM-37166LINCS
HMDB0002121HMDB
Registry NumbersSources
CAS:5957-80-2KEGG COMPOUND