CHEBI:179168 - Neosilyhermin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Neosilyhermin B
ChEBI ID CHEBI:179168
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H22O9
Net Charge 0
Average Mass 466.442
Monoisotopic Mass 466.12638
InChI InChI=1S/C25H22O9/c1-32-20-6-11(2-4-15(20)28)24-14(10-26)22-13(3-5-16(29)25(22)34-24)19-9-18(31)23-17(30)7-12(27)8-21(23)33-19/h2-8,14,19,24,26-30H,9-10H2,1H3/t14?,19-,24?/m0/s1
InChIKey ODFCTVKAFKIYJI-ICEPTDCXSA-N
SMILES O1C(C(C2=C([C@]3(OC=4C(C(=O)C3)=C(O)C=C(O)C4)[H])C=CC(O)=C12)CO)C5=CC(OC)=C(O)C=C5
ChEBI Ontology
Outgoing Neosilyhermin B (CHEBI:179168) is a benzofurans (CHEBI:35259)
IUPAC Name
(2S)-5,7-dihydroxy-2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1-benzouran-4-yl]-2,3-dihydrochromen-4-one
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