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CHEBI:145923 - dinapinone A

Default Structure
ChEBI IDCHEBI:145923
ChEBI Namedinapinone A
Stars
DefinitionI would ideally like to have both the M and the P atropisomer, but I don't know how to indicate atropisomerism
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC46H58O14
Net Charge0
Average Mass834.956
Monoisotopic Mass834.38266
SMILESCCCCC[C@@H](O)C[C@@H](O)C[C@@H]1Cc2cc3cc(OC)c(-c4c(OC)cc5cc6c(c(O)c5c4O)C(=O)O[C@H](C[C@H](O)C[C@H](O)CCCCC)C6)c(O)c3c(O)c2C(=O)O1
InChIInChI=1S/C46H58O14/c1-5-7-9-11-27(47)19-29(49)21-31-15-23-13-25-17-33(57-3)39(43(53)35(25)41(51)37(23)45(55)59-31)40-34(58-4)18-26-14-24-16-32(22-30(50)20-28(48)12-10-8-6-2)60-46(56)38(24)42(52)36(26)44(40)54/h13-14,17-18,27-32,47-54H,5-12,15-16,19-22H2,1-4H3/t27-,28-,29-,30-,31+,32+/m1/s1
InChIKeyZQTBMGRBMQTZNU-GJLCVQKQSA-N
ChEBI Ontology
Outgoing Relation(s)
dinapinone A (CHEBI:145923) is a organic molecular entity (CHEBI:50860)
UniProt Name  Source
dinapinone AUniProt
Citations