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CHEBI:198131 - Stemphone B

ChEBI IDCHEBI:198131
ChEBI NameStemphone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O9
Net Charge0
Average Mass546.657
Monoisotopic Mass546.28288
SMILESC/C=C(\C)C(OC(C)=O)C(C)C1=CC(=O)C2=C(OC3(C)CCC4OC(C(C)(C)O)CC(O)C4(C)C3C2O)C1=O
InChIInChI=1S/C30H42O9/c1-9-14(2)25(37-16(4)31)15(3)17-12-18(32)22-24(35)27-29(7,39-26(22)23(17)34)11-10-20-30(27,8)19(33)13-21(38-20)28(5,6)36/h9,12,15,19-21,24-25,27,33,35-36H,10-11,13H2,1-8H3/b14-9+
InChIKeyMBCHZCLBZPUYCK-NTEUORMPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (16466023)
ChEBI Ontology
Outgoing Relation(s)
Stemphone B (CHEBI:198131) is a oxanes (CHEBI:46942)
IUPAC Name 
[(E)-2-[1,12-dihydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhex-4-en-3-yl] acetate
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9694385ChemSpider