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CHEBI:217338 - Deoxaphomin C

ChEBI IDCHEBI:217338
ChEBI NameDeoxaphomin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H37NO3
Net Charge0
Average Mass447.619
Monoisotopic Mass447.27734
SMILESCC1=C[C@@H]2/C=C/C[C@H](C)CCC[C@@H](O)/C=C/C(=O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C
InChIInChI=1S/C29H37NO3/c1-19-9-7-13-23-17-20(2)21(3)27-25(18-22-11-5-4-6-12-22)30-28(33)29(23,27)26(32)16-15-24(31)14-8-10-19/h4-7,11-13,15-17,19,21,23-25,27,31H,8-10,14,18H2,1-3H3,(H,30,33)/b13-7+,16-15+/t19-,21+,23-,24+,25-,27-,29+/m0/s1
InChIKeyQSSICOOAJDSOCS-YKNYXAGUSA-N
Species of MetaboliteComponentSourceComments
Phomaspecies (ncbitaxon:1707701) - PubMed (22483395)
ChEBI Ontology
Outgoing Relation(s)
Deoxaphomin C (CHEBI:217338) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,3E,5R,9R,11E,13S,16S,17R,18S)-18-benzyl-5-hydroxy-9,15,16-trimethyl-19-azatricyclo[11.7.0.01,17]icosa-3,11,14-triene-2,20-dione
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