CHEBI:145923 - dinapinone A

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ChEBI Name dinapinone A
ChEBI ID CHEBI:145923
Definition I would ideally like to have both the M and the P atropisomer, but I don't know how to indicate atropisomerism
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C46H58O14
Net Charge 0
Average Mass 834.956
Monoisotopic Mass 834.38266
InChI InChI=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
InChIKey ZQTBMGRBMQTZNU-GJLCVQKQSA-N
SMILES C=12C(=C3C(=C(C(=CC3=CC1C[C@H](OC2=O)C[C@@H](C[C@@H](CCCCC)O)O)OC)C4=C(C5=C(C=6C(O[C@@H](CC6C=C5C=C4OC)C[C@@H](C[C@@H](CCCCC)O)O)=O)O)O)O)O
ChEBI Ontology
Outgoing dinapinone A (CHEBI:145923) is a organic molecular entity (CHEBI:50860)
Synonym Source
dinapinone A UniProt
Citation Waiting for Citations Type Source
29468784 PubMed citation SUBMITTER