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CHEBI:219354 - Brabetaicicene L

ChEBI IDCHEBI:219354
ChEBI NameBrabetaicicene L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H32O5
Net Charge0
Average Mass364.482
Monoisotopic Mass364.22497
SMILESCOC[C@@]1(O)CC[C@@H]2C1=C[C@@]1(C)C(=O)C=C(C(C)C)[C@@]1(O)C[C@H](O)[C@@H]2C
InChIInChI=1S/C21H32O5/c1-12(2)15-8-18(23)19(4)9-16-14(6-7-20(16,24)11-26-5)13(3)17(22)10-21(15,19)25/h8-9,12-14,17,22,24-25H,6-7,10-11H2,1-5H3/t13-,14+,17+,19+,20+,21+/m1/s1
InChIKeyANGFDUTVANEGPQ-KPTZLVSZSA-N
ChEBI Ontology
Outgoing Relation(s)
Brabetaicicene L (CHEBI:219354) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R,7S,9S,10R,11S,14R)-7,9,14-trihydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,5-dien-4-one