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CHEBI:145921 - bifonsecin B

Default Structure
ChEBI IDCHEBI:145921
ChEBI Namebifonsecin B
Stars
DefinitionI would like to have the M atropisomer, but I don't know how to indicate atropisomerism
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC32H30O12
Net Charge0
Average Mass606.580
Monoisotopic Mass606.17373
SMILESCOc1cc(OC)c2c(O)c3c(c(-c4c5c(c(O)c6c(OC)cc(OC)cc46)C(=O)CC(C)(O)O5)c2c1)OC(C)(O)CC3=O
InChIInChI=1S/C32H30O12/c1-31(37)11-17(33)25-27(35)21-15(7-13(39-3)9-19(21)41-5)23(29(25)43-31)24-16-8-14(40-4)10-20(42-6)22(16)28(36)26-18(34)12-32(2,38)44-30(24)26/h7-10,35-38H,11-12H2,1-6H3
InChIKeyLQWXBAQWPMRQDM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
bifonsecin B (CHEBI:145921) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
bifonsecin BUniProt
Citations