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CHEBI:218380 - Arthriniumnin D

ChEBI IDCHEBI:218380
ChEBI NameArthriniumnin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO5
Net Charge0
Average Mass465.590
Monoisotopic Mass465.25152
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)C/C=C(\C)C(O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C28H35NO5/c1-16-9-8-12-21-26(32)19(4)18(3)24-22(15-20-10-6-5-7-11-20)29-27(33)28(21,24)34-23(30)14-13-17(2)25(16)31/h5-8,10-13,16,18,21-22,24-26,31-32H,4,9,14-15H2,1-3H3,(H,29,33)/b12-8+,17-13+/t16-,18+,21-,22-,24-,25?,26+,28+/m0/s1
InChIKeyWAGIIPICCBFVHJ-RSCQHCRCSA-N
Species of MetaboliteComponentSourceComments
Apiospora arundinis (ncbitaxon:335852) - PubMed (25626143)
ChEBI Ontology
Outgoing Relation(s)
Arthriniumnin D (CHEBI:218380) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,5E,8S,10E,12S,13S,15S,16S,17S)-17-benzyl-7,13-dihydroxy-6,8,15-trimethyl-14-methylidene-2-oxa-18-azatricyclo[10.7.0.01,16]nonadeca-5,10-diene-3,19-dione