CHEBI:9358 - Sumatrol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Sumatrol
ChEBI ID CHEBI:9358
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H22O7
Net Charge 0
Average Mass 410.417
Monoisotopic Mass 410.13655
InChI InChI=1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1
InChIKey ZPEHYKMRUBEPSQ-XMCHAPAWSA-N
SMILES COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5cc(O)c4C(=O)[C@H]3c2cc1OC)C(C)=C
ChEBI Ontology
Outgoing Sumatrol (CHEBI:9358) is a isoflavanones (CHEBI:38741)
Synonym Source
Sumatrol KEGG COMPOUND
Manual Xrefs Databases
C00002575 KNApSAcK
C10532 KEGG COMPOUND
View more database links
Registry Number Type Source
82-10-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014