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CHEBI:210576 - Dahliane J

ChEBI IDCHEBI:210576
ChEBI NameDahliane J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O5
Net Charge0
Average Mass374.477
Monoisotopic Mass374.20932
SMILESCC(=O)OCC1=C2C=C3C(=O)C(O)=C(C(C)C)[C@@]3(C)CC[C@]2(C)CC[C@@H]1O
InChIInChI=1S/C22H30O5/c1-12(2)18-20(26)19(25)16-10-15-14(11-27-13(3)23)17(24)6-7-21(15,4)8-9-22(16,18)5/h10,12,17,24,26H,6-9,11H2,1-5H3/t17-,21-,22-/m0/s1
InChIKeySYXVMJQEQXBCIE-HSQYWUDLSA-N
Species of MetaboliteComponentSourceComments
Verticillium dahliae (ncbitaxon:27337) - PubMed (30659876)
ChEBI Ontology
Outgoing Relation(s)
Dahliane J (CHEBI:210576) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(3aR,5aR,8S)-2,8-dihydroxy-3a,5a-dimethyl-1-oxo-3-propan-2-yl-5,6,7,8-tetrahydro-4H-benzo[]azulen-9-yl]methyl acetate