CHEBI:178577 - Shanciol

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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 Shanciol
ChEBI ID CHEBI:178577
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H24O6
Net Charge 0
Average Mass 420.461
Monoisotopic Mass 420.15729
InChI InChI=1S/C25H24O6/c1-29-22-10-14(4-8-19(22)27)25-20(28)11-18-17-6-3-13-9-15(26)5-7-16(13)24(17)23(30-2)12-21(18)31-25/h4-5,7-10,12,20,25-28H,3,6,11H2,1-2H3/t20-,25+/m0/s1
InChIKey KKBKTGYRMZXDKM-NBGIEHNGSA-N
SMILES O1[C@@H]([C@@H](O)CC2=C3CCC4=C(C3=C(OC)C=C12)C=CC(O)=C4)C5=CC(OC)=C(O)C=C5
ChEBI Ontology
Outgoing Shanciol (CHEBI:178577) is a ether (CHEBI:25698)
Shanciol (CHEBI:178577) is a flavonoids (CHEBI:72544)
IUPAC Name
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-11-methoxy-3,4,5,6-tetrahydro-2H-naphtho[2,1-]chromene-3,8-diol
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24842497 ChemSpider
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