CHEBI:175751 - Sesamolin

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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 Sesamolin
ChEBI ID CHEBI:175751
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H18O7
Net Charge 0
Average Mass 370.357
Monoisotopic Mass 370.10525
InChI InChI=1S/C20H18O7/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)27-12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19+,20+/m0/s1
InChIKey ZZMNWJVJUKMZJY-AFHBHXEDSA-N
SMILES O1[C@@H]([C@@]2([C@@]([C@H](OC2)OC3=CC=4OCOC4C=C3)(C1)[H])[H])C5=CC=6OCOC6C=C5
ChEBI Ontology
Outgoing Sesamolin (CHEBI:175751) is a benzodioxoles (CHEBI:38298)
IUPAC Name
5-[[(3S,3aR,6R,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]oxy]-1,3-benzodioxole
Manual Xref Database
91932 ChemSpider
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Registry Number Type Source
526-07-8 CAS Registry Number ChemIDplus