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CHEBI:166680 - Sinulobatin A

ChEBI IDCHEBI:166680
ChEBI NameSinulobatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILES[H][C@]12C(=C)CCC3=C1[C@@]([H])(C[C@@H](OC(C)=O)[C@H]3C)[C@H](C)C(=O)[C@@H]2C=C(C)C
InChIInChI=1S/C22H30O3/c1-11(2)9-18-20-12(3)7-8-16-13(4)19(25-15(6)23)10-17(21(16)20)14(5)22(18)24/h9,13-14,17-20H,3,7-8,10H2,1-2,4-6H3/t13-,14-,17-,18+,19+,20+/m0/s1
InChIKeyGPKYQTWWGVHMSD-XYTVEFIISA-N
ChEBI Ontology
Outgoing Relation(s)
Sinulobatin A (CHEBI:166680) is a diterpenoid (CHEBI:23849)
IUPAC Name 
[(1S,2R,3aS,4S,6R,6aS)-1,4-dimethyl-7-methylidene-6-(2-methylprop-1-enyl)-5-oxo-2,3,3a,4,6,6a,8,9-octahydro-1H-phenalen-2-yl] acetate
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8602931ChemSpider