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CHEBI:174435 - 12-Methoxy-8,11,13-abietatrien-20,11-olide

ChEBI IDCHEBI:174435
ChEBI Name12-Methoxy-8,11,13-abietatrien-20,11-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O3
Net Charge0
Average Mass328.452
Monoisotopic Mass328.20384
SMILESCOc1c(C(C)C)cc2c3c1OC(=O)C1CCC(C)(C)C(CC2)C31
InChIInChI=1S/C21H28O3/c1-11(2)14-10-12-6-7-15-17-13(8-9-21(15,3)4)20(22)24-19(16(12)17)18(14)23-5/h10-11,13,15,17H,6-9H2,1-5H3
InChIKeyNRKDGGOZWKDHMW-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
12-Methoxy-8,11,13-abietatrien-20,11-olide (CHEBI:174435) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
14-methoxy-7,7-dimethyl-13-propan-2-yl-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),11,13-trien-3-one
Manual XrefsDatabases
HMDB0038391HMDB
35014562ChemSpider