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CHEBI:192183 - Neoacrimarine A

ChEBI IDCHEBI:192183
ChEBI NameNeoacrimarine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H43NO9
Net Charge0
Average Mass681.782
Monoisotopic Mass681.29378
SMILESC=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)CC3c1c(OC)cc(O)c2c(=O)c3ccc(OC)c(OC)c3nc12
InChIInChI=1S/C40H43NO9/c1-12-38(3,4)22-16-20-33(44)27-21(18-40(7,8)50-36(27)29(39(5,6)13-2)34(20)49-37(22)45)26-25(47-10)17-23(42)28-31(26)41-30-19(32(28)43)14-15-24(46-9)35(30)48-11/h12-17,21,42,44H,1-2,18H2,3-11H3,(H,41,43)
InChIKeyMHPPNTXKFWUDIA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
Neoacrimarine A (CHEBI:192183) has functional parent acridone (CHEBI:50756)
Neoacrimarine A (CHEBI:192183) is a acridines (CHEBI:22213)
IUPAC Name 
1-hydroxy-4-[5-hydroxy-2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-3,5,6-trimethoxy-10H-acridin-9-one
Manual XrefsDatabases
HMDB0040384HMDB
35014938ChemSpider