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CHEBI:201937 - Arisugacin H

ChEBI IDCHEBI:201937
ChEBI NameArisugacin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36O9
Net Charge0
Average Mass528.598
Monoisotopic Mass528.23593
SMILESCOc1ccc(-c2cc3c(c(=O)o2)C[C@]2(O)[C@@]4(C)[C@@H](O)C[C@@H](OC(C)=O)C(C)(C)[C@]4(O)CC[C@@]2(C)O3)cc1
InChIInChI=1S/C29H36O9/c1-16(30)36-23-14-22(31)27(5)28(33,25(23,2)3)12-11-26(4)29(27,34)15-19-21(38-26)13-20(37-24(19)32)17-7-9-18(35-6)10-8-17/h7-10,13,22-23,31,33-34H,11-12,14-15H2,1-6H3/t22-,23+,26+,27-,28+,29+/m0/s1
InChIKeyIEHWJHMZQDRWLL-SAQJKEKHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (10724008)
ChEBI Ontology
Outgoing Relation(s)
Arisugacin H (CHEBI:201937) is a organic heterotricyclic compound (CHEBI:26979)
Arisugacin H (CHEBI:201937) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(1S,2S,3S,5R,7R,10R)-1,3,7-trihydroxy-14-(4-methoxyphenyl)-2,6,6,10-tetramethyl-16-oxo-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-5-yl] acetate
Manual XrefsDatabases
8896264ChemSpider