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CHEBI:209558 - Calphostin C

ChEBI IDCHEBI:209558
ChEBI NameCalphostin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H38O14
Net Charge0
Average Mass790.774
Monoisotopic Mass790.22616
SMILESCOc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(C[C@@H](C)OC(=O)c6ccccc6)c(c(c1C[C@@H](C)OC(=O)Oc1ccc(O)cc1)c23)c54
InChIInChI=1S/C44H38O14/c1-20(56-43(50)22-10-8-7-9-11-22)16-25-31-32-26(17-21(2)57-44(51)58-24-14-12-23(45)13-15-24)42(55-6)40(49)34-28(47)19-30(53-4)36(38(32)34)35-29(52-3)18-27(46)33(37(31)35)39(48)41(25)54-5/h7-15,18-21,45,48-49H,16-17H2,1-6H3/t20-,21-/m1/s1
InChIKeyLSUTUUOITDQYNO-NHCUHLMSSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cladosporioides (ncbitaxon:29917) - PubMed (2478514)
ChEBI Ontology
Outgoing Relation(s)
Calphostin C (CHEBI:209558) is a naphthalenone (CHEBI:25479)
IUPAC Name 
[(2R)-1-[3,10-dihydroxy-12-[(2R)-2-(4-hydroxyphenoxy)carbonyloxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] benzoate
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