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CHEBI:209735 - Calphostin B

ChEBI IDCHEBI:209735
ChEBI NameCalphostin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H34O11
Net Charge0
Average Mass654.668
Monoisotopic Mass654.21011
SMILESCOc1c(O)c2c(=O)cc(OC)c3c4c(OC)cc(=O)c5c(O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)OC(=O)c1ccccc1)c23)c54
InChIInChI=1S/C37H34O11/c1-16(38)12-19-25-26-20(13-17(2)48-37(43)18-10-8-7-9-11-18)36(47-6)34(42)28-22(40)15-24(45-4)30(32(26)28)29-23(44-3)14-21(39)27(31(25)29)33(41)35(19)46-5/h7-11,14-17,38,41-42H,12-13H2,1-6H3/t16-,17-/m1/s1
InChIKeyZZTKVBAAURVMGM-IAGOWNOFSA-N
Species of MetaboliteComponentSourceComments
Cladosporium cladosporioides (ncbitaxon:29917) - PubMed (2478514)
ChEBI Ontology
Outgoing Relation(s)
Calphostin B (CHEBI:209735) is a naphthalenone (CHEBI:25479)
IUPAC Name 
[(2R)-1-[3,10-dihydroxy-12-[(2R)-2-hydroxypropyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] benzoate
Manual XrefsDatabases
9083714ChemSpider