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CHEBI:191597 - Cafamarine

ChEBI IDCHEBI:191597
ChEBI NameCafamarine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O10
Net Charge0
Average Mass508.564
Monoisotopic Mass508.23085
SMILESO=C1CC2(CO)C(CCC34CC(CCC32)C(O)(COC2OC(CO)C(O)C(O)C2O)C4)c2ccoc21
InChIInChI=1S/C26H36O10/c27-9-17-19(30)20(31)21(32)23(36-17)35-12-26(33)10-24-5-3-15-14-4-6-34-22(14)16(29)8-25(15,11-28)18(24)2-1-13(26)7-24/h4,6,13,15,17-21,23,27-28,30-33H,1-3,5,7-12H2
InChIKeyTXMUQQBIIGAMBQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
ChEBI Ontology
Outgoing Relation(s)
Cafamarine (CHEBI:191597) is a naphthofuran (CHEBI:39270)
IUPAC Name 
17-hydroxy-12-(hydroxymethyl)-17-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6-dien-10-one
Manual XrefsDatabases
HMDB0037003HMDB
74886368ChemSpider