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CHEBI:210189 - Chermebilaene A

ChEBI IDCHEBI:210189
ChEBI NameChermebilaene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H56O4
Net Charge0
Average Mass540.829
Monoisotopic Mass540.41786
SMILESC=C(C)[C@H]1[C@H](OC(C)=O)C[C@H](C)[C@@]12CC=C(C)[C@@H](OC(=O)CCCCCCCC=CCC=CCCCCC)C2
InChIInChI=1S/C35H56O4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(37)39-32-26-35(24-23-28(32)4)29(5)25-31(38-30(6)36)34(35)27(2)3/h11-12,14-15,23,29,31-32,34H,2,7-10,13,16-22,24-26H2,1,3-6H3/t29-,31+,32-,34-,35-/m0/s1
InChIKeyVNFKNGLLVFNNAJ-LQBRLHDDSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (32605151)
ChEBI Ontology
Outgoing Relation(s)
Chermebilaene A (CHEBI:210189) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,3R,4R,5S,9S)-3-acetyloxy-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-7-en-9-yl] octadeca-9,12-dienoate