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CHEBI:209648 - Phomopsichalasin G

ChEBI IDCHEBI:209648
ChEBI NamePhomopsichalasin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO4
Net Charge0
Average Mass451.607
Monoisotopic Mass451.27226
SMILESC=C1[C@H](C)[C@@H]2[C@@H](Cc3ccccc3O)NC(=O)[C@]23[C@H](/C=C/C[C@@H](C)C[C@@H](C)/C=C/[C@@H]3O)[C@H]1O
InChIInChI=1S/C28H37NO4/c1-16-8-7-10-21-26(32)19(4)18(3)25-22(15-20-9-5-6-11-23(20)30)29-27(33)28(21,25)24(31)13-12-17(2)14-16/h5-7,9-13,16-18,21-22,24-26,30-32H,4,8,14-15H2,1-3H3,(H,29,33)/b10-7+,13-12+/t16-,17+,18+,21-,22-,24+,25-,26+,28+/m1/s1
InChIKeyGPYFHLIYZCGNSD-YJZFUNBLSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies xy21 (ncbitaxon:2019965) - DOI (10.1016/j.phytol.2016.07.027)
ChEBI Ontology
Outgoing Relation(s)
Phomopsichalasin G (CHEBI:209648) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,2S,3E,5R,7R,9E,11S,12R,14R,15S,16R)-2,12-dihydroxy-16-[(2-hydroxyphenyl)methyl]-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-18-one
Manual XrefsDatabases
78442071ChemSpider