CHEBI:145921 - bifonsecin B

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ChEBI Name bifonsecin B
ChEBI ID CHEBI:145921
Definition I would like to have the M 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 C32H30O12
Net Charge 0
Average Mass 606.580
Monoisotopic Mass 606.17373
InChI InChI=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
InChIKey LQWXBAQWPMRQDM-UHFFFAOYSA-N
SMILES C12=C(C=3C(=CC(=CC3C(=C1OC(CC2=O)(O)C)C4=C5C(=C(C=6C(=CC(=CC46)OC)OC)O)C(CC(O5)(O)C)=O)OC)OC)O
ChEBI Ontology
Outgoing bifonsecin B (CHEBI:145921) is a organic molecular entity (CHEBI:50860)
Synonym Source
bifonsecin B UniProt
Citation Waiting for Citations Type Source
31067027 PubMed citation SUBMITTER