EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210130 - Terreulactone A

ChEBI IDCHEBI:210130
ChEBI NameTerreulactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O9
Net Charge0
Average Mass510.539
Monoisotopic Mass510.18898
SMILESCOc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)C(=O)[C@@]5(OC)C(=O)O[C@]4(CC[C@@]2(C)O3)C5(C)C)cc1
InChIInChI=1S/C28H30O9/c1-23(2)27-12-11-24(3)26(32,25(27,4)21(30)28(23,34-6)22(31)37-27)14-17-19(36-24)13-18(35-20(17)29)15-7-9-16(33-5)10-8-15/h7-10,13,32H,11-12,14H2,1-6H3/t24-,25-,26-,27-,28-/m1/s1
InChIKeyAOFMVUCAUSHJLI-JQPIIJRMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - DOI (10.1016/s0040-4039(02)00465-3)
ChEBI Ontology
Outgoing Relation(s)
Terreulactone A (CHEBI:210130) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(1R,4R,13S,14R,16R)-13-hydroxy-16-methoxy-8-(4-methoxyphenyl)-4,14,19,19-tetramethyl-5,9,18-trioxapentacyclo[14.2.1.01,14.04,13.06,11]nonadeca-6(11),7-diene-10,15,17-trione
Manual XrefsDatabases
8589417ChemSpider