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CHEBI:225547 - Asperaustin A

ChEBI IDCHEBI:225547
ChEBI NameAsperaustin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O8
Net Charge0
Average Mass484.545
Monoisotopic Mass484.20972
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)C2(C)C)CC[C@@]13C
InChIInChI=1S/C27H32O8/c1-13-18-19(34-16(4)28)24(8)14(2)26(20(30)33-15(3)27(26,32)21(31)35-24)23(18,7)11-12-25(13)10-9-17(29)22(25,5)6/h9-10,15,19,32H,2,11-12H2,1,3-8H3/t15-,19+,23+,24+,25+,26+,27-/m1/s1
InChIKeyQFNFPUWZJCBRHY-ZYARQYSDSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (31867967)
ChEBI Ontology
Outgoing Relation(s)
Asperaustin A (CHEBI:225547) is a furopyran (CHEBI:74927)
IUPAC Name 
[(1R,2S,5R,8S,9S,12R,13R)-12-hydroxy-2,4',4',6,9,13-hexamethyl-16-methylidene-5',11,15-trioxospiro[10,14-dioxatetracyclo[7.6.1.01,12.02,7]hexadec-6-ene-5,3'-cyclopentene]-8-yl] acetate
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81367093ChemSpider