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CHEBI:174691 - 12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid

ChEBI IDCHEBI:174691
ChEBI Name12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O4
Net Charge0
Average Mass346.467
Monoisotopic Mass346.21441
SMILES[H][C@@]12CCc3cc(CCC)c(O)c(OC)c3[C@@]1(C(=O)O)CCCC2(C)C
InChIInChI=1S/C21H30O4/c1-5-7-14-12-13-8-9-15-20(2,3)10-6-11-21(15,19(23)24)16(13)18(25-4)17(14)22/h12,15,22H,5-11H2,1-4H3,(H,23,24)/t15-,21+/m0/s1
InChIKeyOMPKOMATCRRMCU-YCRPNKLZSA-N
ChEBI Ontology
Outgoing Relation(s)
12-Hydroxy-11-methoxy-8,11,13-abietatrien-20-oic acid (CHEBI:174691) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(4aR,10aS)-6-hydroxy-5-methoxy-1,1-dimethyl-7-propyl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
Manual XrefsDatabases
30777227ChemSpider
HMDB0038031HMDB