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CHEBI:199500 - 12a-dehydroxyisoterreulactone A

Default Structure
ChEBI IDCHEBI:199500
ChEBI Name12a-dehydroxyisoterreulactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O7
Net Charge0
Average Mass468.546
Monoisotopic Mass468.21480
SMILESCOc1ccc(-c2cc3c(c(=O)o2)C[C@H]2[C@@](C)(CC[C@@]4(O)C(C)(C)OC(=O)CC[C@]24C)O3)cc1
InChIInChI=1S/C27H32O7/c1-24(2)27(30)13-12-26(4)21(25(27,3)11-10-22(28)34-24)14-18-20(33-26)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21,30H,10-14H2,1-5H3/t21-,25-,26-,27-/m1/s1
InChIKeyMOBUBGUDFJFGGR-HHPVDLARSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25522319)
ChEBI Ontology
Outgoing Relation(s)
12a-dehydroxyisoterreulactone A (CHEBI:199500) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(1R,2R,8S,11R)-8-hydroxy-15-(4-methoxyphenyl)-2,7,7,11-tetramethyl-6,12,16-trioxatetracyclo[9.8.0.02,8.013,18]nonadeca-13(18),14-diene-5,17-dione
Manual XrefsDatabases
34981372ChemSpider