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CHEBI:213124 - Azasperpyranone A

ChEBI IDCHEBI:213124
ChEBI NameAzasperpyranone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O8
Net Charge0
Average Mass496.556
Monoisotopic Mass496.20972
SMILESCC[C@H](C)/C=C(C)/C=C/C1=CC2=C(CO1)C(=O)[C@@](C)(O)[C@]1(O)Oc3c(O)c(O)c(C)c(CO)c3C=C21
InChIInChI=1S/C28H32O8/c1-6-14(2)9-15(3)7-8-17-10-18-21(13-35-17)26(32)27(5,33)28(34)22(18)11-19-20(12-29)16(4)23(30)24(31)25(19)36-28/h7-11,14,29-31,33-34H,6,12-13H2,1-5H3/b8-7+,15-9+/t14-,27+,28+/m0/s1
InChIKeyHJVFAAVFANHJOO-OFYHSBFMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (31908094)
ChEBI Ontology
Outgoing Relation(s)
Azasperpyranone A (CHEBI:213124) is a xanthenes (CHEBI:38835)
IUPAC Name 
(6R,6aR)-2-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-6,6a,8,9-tetrahydroxy-11-(hydroxymethyl)-6,10-dimethyl-4H-pyrano[4,3-a]xanthen-5-one