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CHEBI:217598 - Scoparasin A

ChEBI IDCHEBI:217598
ChEBI NameScoparasin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H35NO8
Net Charge0
Average Mass525.598
Monoisotopic Mass525.23627
SMILESCOc1ccc(C[C@H]2NC(=O)[C@]34OC(=O)O/C=C/[C@](C)(O)C(=O)[C@H](C)C/C=C/[C@@H]3[C@@H](O)C(C)=C(C)[C@H]24)cc1
InChIInChI=1S/C29H35NO8/c1-16-7-6-8-21-24(31)18(3)17(2)23-22(15-19-9-11-20(36-5)12-10-19)30-26(33)29(21,23)38-27(34)37-14-13-28(4,35)25(16)32/h6,8-14,16,21-24,31,35H,7,15H2,1-5H3,(H,30,33)/b8-6+,14-13+/t16-,21-,22-,23-,24+,28+,29+/m1/s1
InChIKeyUKXQRSOMKIGRCJ-ZLVRRUFZSA-N
Species of MetaboliteComponentSourceComments
Eutypella (ncbitaxon:140192) - PubMed (16724861)
ChEBI Ontology
Outgoing Relation(s)
Scoparasin A (CHEBI:217598) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,5E,7S,9R,11E,13R,14R,17R,18R)-7,14-dihydroxy-18-[(4-methoxyphenyl)methyl]-7,9,15,16-tetramethyl-2,4-dioxa-19-azatricyclo[11.7.0.01,17]icosa-5,11,15-triene-3,8,20-trione
Manual XrefsDatabases
78438664ChemSpider