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CHEBI:172818 - Marshdimerin

ChEBI IDCHEBI:172818
ChEBI NameMarshdimerin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H54O8
Net Charge0
Average Mass758.952
Monoisotopic Mass758.38187
SMILESC=CC(C)(C)Oc1c2c(c(Oc3c4c(c(C(C)(C)C=C)c5oc(=O)c(C(C)(C)C=C)cc35)OC(C)(C)C=C4)c3oc(=O)c(C(C)(C)C=C)cc13)OC(C)(C)C=C2
InChIInChI=1S/C48H54O8/c1-17-43(5,6)31-25-29-34(27-21-23-47(13,14)55-37(27)33(45(9,10)19-3)36(29)52-41(31)49)51-40-38-30(26-32(42(50)53-38)44(7,8)18-2)35(54-46(11,12)20-4)28-22-24-48(15,16)56-39(28)40/h17-26H,1-4H2,5-16H3
InChIKeyNBUQNPBZWAGFSQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Marshdimerin (CHEBI:172818) is a coumarins (CHEBI:23403)
IUPAC Name 
5-[2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-5-(2-methylbut-3-en-2-yloxy)-8-oxopyrano[3,2-g]chromen-10-yl]oxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
Manual XrefsDatabases
HMDB0031227HMDB
30776891ChemSpider