CHEBI:582 - 1-Acetoxypinoresinol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-Acetoxypinoresinol
ChEBI ID CHEBI:582
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H24O8
Net Charge 0
Average Mass 416.422
Monoisotopic Mass 416.14712
InChI InChI=1S/C22H24O8/c1-12(23)30-22-11-29-20(13-4-6-16(24)18(8-13)26-2)15(22)10-28-21(22)14-5-7-17(25)19(9-14)27-3/h4-9,15,20-21,24-25H,10-11H2,1-3H3/t15-,20-,21-,22-/m1/s1
InChIKey NATDFORNCKZPCI-FPHUIIFBSA-N
SMILES COc1cc(ccc1O)[C@H]1OC[C@@]2(OC(C)=O)[C@@H]1CO[C@@H]2c1ccc(O)c(OC)c1
ChEBI Ontology
Outgoing 1-Acetoxypinoresinol (CHEBI:582) is a lignan (CHEBI:25036)
Synonym Source
1-Acetoxypinoresinol KEGG COMPOUND
Manual Xrefs Databases
C00002588 KNApSAcK
C10544 KEGG COMPOUND
View more database links
Registry Number Type Source
81426-14-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014