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CHEBI:217364 - methyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate

ChEBI IDCHEBI:217364
ChEBI Namemethyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O9
Net Charge0
Average Mass518.603
Monoisotopic Mass518.25158
SMILESCOC(=O)CC1=C(C)[C@@H]2C[C@@]3(C)C(=O)O[C@H]4O[C@@H](C)C(=O)[C@](C(=O)OC)([C@H]43)[C@@]2(C)CC=C1C(C)(C)OC
InChIInChI=1S/C28H38O9/c1-14-16(12-19(29)33-7)17(25(3,4)35-9)10-11-27(6)18(14)13-26(5)20-22(37-23(26)31)36-15(2)21(30)28(20,27)24(32)34-8/h10,15,18,20,22H,11-13H2,1-9H3/t15-,18-,20+,22+,26+,27-,28-/m0/s1
InChIKeyVJSDLDBIFLWQDV-FPOPTWPWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (29395667)
ChEBI Ontology
Outgoing Relation(s)
methyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate (CHEBI:217364) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1S,2S,8S,10R,13R,15S,17R)-6-(2-methoxy-2-oxoethyl)-5-(2-methoxypropan-2-yl)-2,7,10,15-tetramethyl-11,16-dioxo-12,14-dioxatetracyclo[8.6.1.02,8.013,17]heptadeca-4,6-diene-1-carboxylate