CHEBI:9128 - Sesartemin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Sesartemin
ChEBI ID CHEBI:9128
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H26O8
Net Charge 0
Average Mass 430.449
Monoisotopic Mass 430.16277
InChI InChI=1S/C23H26O8/c1-24-16-5-12(6-17(25-2)22(16)27-4)20-14-9-29-21(15(14)10-28-20)13-7-18(26-3)23-19(8-13)30-11-31-23/h5-8,14-15,20-21H,9-11H2,1-4H3/t14-,15-,20+,21+/m0/s1
InChIKey DHWUVPPRBIJJKS-VUEDXXQZSA-N
SMILES COc1cc(cc2OCOc12)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(OC)c1
ChEBI Ontology
Outgoing Sesartemin (CHEBI:9128) is a lignan (CHEBI:25036)
Synonym Source
Sesartemin KEGG COMPOUND
Manual Xrefs Databases
C00002627 KNApSAcK
C10884 KEGG COMPOUND
View more database links
Registry Number Type Source
77394-27-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014