CHEBI:9295 - styraxin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name styraxin
ChEBI ID CHEBI:9295
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H18O7
Net Charge 0
Average Mass 370.353
Monoisotopic Mass 370.10525
InChI InChI=1S/C20H18O7/c1-23-15-6-11(2-4-13(15)21)19-17-12(8-24-19)18(27-20(17)22)10-3-5-14-16(7-10)26-9-25-14/h2-7,12,17-19,21H,8-9H2,1H3/t12-,17-,18+,19+/m1/s1
InChIKey ADTULSGZUFJGNI-WSFKTYETSA-N
SMILES COc1cc(ccc1O)[C@@H]1OC[C@H]2[C@@H](OC(=O)[C@@H]12)c1ccc2OCOc2c1
ChEBI Ontology
Outgoing styraxin (CHEBI:9295) is a lignan (CHEBI:25036)
Synonym Source
Styraxin KEGG COMPOUND
Manual Xrefs Databases
C00002629 KNApSAcK
C10887 KEGG COMPOUND
View more database links
Registry Number Type Source
69742-32-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014