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CHEBI:203878 - Dehydroaustin

ChEBI IDCHEBI:203878
ChEBI NameDehydroaustin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O9
Net Charge0
Average Mass498.528
Monoisotopic Mass498.18898
SMILESC=C1[C@]23C(=O)O[C@@H](C)[C@@]24O[C@]2(C(=C)[C@@]5(C=CC(=O)OC5(C)C)CC[C@@]32C)[C@@H](OC(C)=O)[C@]1(C)OC4=O
InChIInChI=1S/C27H30O9/c1-13-23(8)18(33-16(4)28)26-14(2)24(10-9-17(29)34-21(24,5)6)12-11-22(26,7)25(13)19(30)32-15(3)27(25,36-26)20(31)35-23/h9-10,15,18H,1-2,11-12H2,3-8H3/t15-,18-,22-,23+,24+,25+,26+,27-/m0/s1
InChIKeyUMCNDSVRNDMSEX-DVMWOTGCSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - DOI (10.1039/p19820002687)
ChEBI Ontology
Outgoing Relation(s)
Dehydroaustin (CHEBI:203878) has functional parent tetracarboxylic acid (CHEBI:35742)
Dehydroaustin (CHEBI:203878) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1R,2S,5S,7S,8S,9R,12S,13S)-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3'-pyran]-8-yl] acetate