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CHEBI:222606 - Austin

ChEBI IDCHEBI:222606
ChEBI NameAustin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O9
Net Charge0
Average Mass500.544
Monoisotopic Mass500.20463
SMILESC=C1[C@]23C(=O)O[C@@H](C)[C@]2(O)C(=O)O[C@@]1(C)[C@H](OC(C)=O)C1=C(C)[C@@]2(C=CC(=O)OC2(C)C)CC[C@]13C
InChIInChI=1S/C27H32O9/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)36-24)23(18,7)11-12-25(13)10-9-17(29)35-22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m0/s1
InChIKeyDEMDOYQPCDXCEB-WLEVADLXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ustus (ncbitaxon:40382) - PubMed (972231)
ChEBI Ontology
Outgoing Relation(s)
Austin (CHEBI:222606) has functional parent tetracarboxylic acid (CHEBI:35742)
Austin (CHEBI:222606) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2R,5S,8R,9R,12S,13S)-12-hydroxy-2,2',2',6,9,13-hexamethyl-16-methylidene-6',11,15-trioxospiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-pyran]-8-yl] acetate
Manual XrefsDatabases
52083136ChemSpider