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CHEBI:172938 - (−)-retigeranin B

ChEBI IDCHEBI:172938
ChEBI Name(−)-retigeranin B
Stars
ASCII Name(-)-retigeranin B
DefinitionA sesterterpene produced by a sesterterpene synthase gene identified in the plant Arabidopsis thaliana.
Last Modified10 August 2021
SubmitterTereza Calounova
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@@]12CC3=C(C)[C@@]45CC[C@@H](C)[C@]4([H])CC[C@@]5(C)[C@@]3([H])C[C@@]1(C)CC[C@]2([H])C(C)C
InChIInChI=1S/C25H40/c1-15(2)18-8-10-23(5)14-22-19(13-21(18)23)17(4)25-12-7-16(3)20(25)9-11-24(22,25)6/h15-16,18,20-22H,7-14H2,1-6H3/t16-,18-,20+,21+,22+,23-,24+,25+/m1/s1
InChIKeySPDGKMBDBBQKAR-VAINWBMYSA-N
Roles Classification
Biological Role:
Arabidopsis thaliana metabolite  Any plant metabolite that is produced by Arabidopsis thaliana.
ChEBI Ontology
Outgoing Relation(s)
(−)-retigeranin B (CHEBI:172938) has role Arabidopsis thaliana metabolite (CHEBI:140602)
(−)-retigeranin B (CHEBI:172938) is a carbopentacyclic compound (CHEBI:177356)
(−)-retigeranin B (CHEBI:172938) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(3R,3aS,5aS,5bS,6aR,9R,9aS,11aS)-3,5a,6a,11-tetramethyl-9-(propan-2-yl)-2,3,3a,4,5,5a,5b,6,6a,7,8,9,9a,10-tetradecahydro-1H-pentaleno[1,6a-a]-s-indacene
Synonym  Source
(1S,2S,5S,6R,9S,13S,14R,17R)-2,6,10,17-tetramethyl-14-propan-2-ylpentacyclo[9.7.0.02,9.05,9.013,17]octadec-10-eneIUPAC
Citations