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CHEBI:208272 - Asperphenalenone D

ChEBI IDCHEBI:208272
ChEBI NameAsperphenalenone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H50O10
Net Charge0
Average Mass654.797
Monoisotopic Mass654.34040
SMILESCOC(OC)C1CCC(C(C)(C)O)OC1CC/C(C)=C/CC/C(C)=C/C[C@]1(O)C(=O)c2c(O)cc(C)c3c(O)c(C)c(O)c(c23)C1=O
InChIInChI=1S/C37H50O10/c1-19(12-14-25-23(35(45-7)46-8)13-15-26(47-25)36(5,6)43)10-9-11-20(2)16-17-37(44)33(41)28-24(38)18-21(3)27-29(28)30(34(37)42)32(40)22(4)31(27)39/h10,16,18,23,25-26,35,38-40,43-44H,9,11-15,17H2,1-8H3/b19-10+,20-16+/t23?,25?,26?,37-/m0/s1
InChIKeyICCUZOIZSOBWFZ-DZSQDTLYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29016131)
ChEBI Ontology
Outgoing Relation(s)
Asperphenalenone D (CHEBI:208272) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2S)-2-[(2E,6E)-9-[3-(dimethoxymethyl)-6-(2-hydroxypropan-2-yl)oxan-2-yl]-3,7-dimethylnona-2,6-dienyl]-2,4,6,9-tetrahydroxy-5,7-dimethylphenalene-1,3-dione
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78445628ChemSpider