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CHEBI:217965 - Phomopsichalasin E

ChEBI IDCHEBI:217965
ChEBI NamePhomopsichalasin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35NO5
Net Charge0
Average Mass465.590
Monoisotopic Mass465.25152
SMILESC[C@@H]1C/C=C/[C@@H]2C=C(C(=O)O)[C@H](C)[C@@H]3[C@@H](Cc4ccccc4)NC(=O)[C@@]32[C@@H](O)/C=C/[C@@](C)(O)C1
InChIInChI=1S/C28H35NO5/c1-17-8-7-11-20-15-21(25(31)32)18(2)24-22(14-19-9-5-4-6-10-19)29-26(33)28(20,24)23(30)12-13-27(3,34)16-17/h4-7,9-13,15,17-18,20,22-24,30,34H,8,14,16H2,1-3H3,(H,29,33)(H,31,32)/b11-7+,13-12+/t17-,18+,20-,22-,23+,24-,27-,28+/m1/s1
InChIKeyFZMOWDZENBQKIA-XROCEZICSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies xy21 (ncbitaxon:2019965) - DOI (10.1016/j.phytol.2016.07.027)
ChEBI Ontology
Outgoing Relation(s)
Phomopsichalasin E (CHEBI:217965) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2S,3E,5S,7R,9E,11R,14R,15S,16R)-16-benzyl-2,5-dihydroxy-5,7,14-trimethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-triene-13-carboxylic acid
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