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CHEBI:221676 - Phomopsichalasin F

ChEBI IDCHEBI:221676
ChEBI NamePhomopsichalasin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H37NO3
Net Charge0
Average Mass435.608
Monoisotopic Mass435.27734
SMILESCC1=C[C@H]2/C=C/C[C@@H](C)C[C@@H](C)/C=C/[C@H](O)[C@@]23C(=O)N[C@H](Cc2ccc(O)cc2)[C@H]3[C@H]1C
InChIInChI=1S/C28H37NO3/c1-17-6-5-7-22-15-19(3)20(4)26-24(16-21-9-11-23(30)12-10-21)29-27(32)28(22,26)25(31)13-8-18(2)14-17/h5,7-13,15,17-18,20,22,24-26,30-31H,6,14,16H2,1-4H3,(H,29,32)/b7-5+,13-8+/t17-,18+,20+,22-,24-,25+,26-,28+/m1/s1
InChIKeyOJKVESLEWZFBOU-RZZSMUKNSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies xy21 (ncbitaxon:2019965) - DOI (10.1016/j.phytol.2016.07.027)
ChEBI Ontology
Outgoing Relation(s)
Phomopsichalasin F (CHEBI:221676) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2S,3E,5R,7R,9E,11R,14R,15S,16R)-2-hydroxy-16-[(4-hydroxyphenyl)methyl]-5,7,13,14-tetramethyl-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-18-one
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78442088ChemSpider