CHEBI:175520 - Kanzonol I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Kanzonol I
ChEBI ID CHEBI:175520
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H32O5
Net Charge 0
Average Mass 436.548
Monoisotopic Mass 436.22497
InChI InChI=1S/C27H32O5/c1-16(2)7-8-20-23(29-5)14-24-21(25(20)30-6)13-17(15-31-24)18-9-10-22(28)19-11-12-27(3,4)32-26(18)19/h7,9-12,14,17,28H,8,13,15H2,1-6H3/t17-/m0/s1
InChIKey RVKDAOFCDAPVGX-KRWDZBQOSA-N
SMILES O1C[C@](CC=2C1=CC(OC)=C(C2OC)CC=C(C)C)(C3=C4OC(C=CC4=C(O)C=C3)(C)C)[H]
ChEBI Ontology
Outgoing Kanzonol I (CHEBI:175520) is a isoflavonoid (CHEBI:50753)
IUPAC Name
8-[(3R)-5,7-dimethoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-2,2-dimethylchromen-5-ol
Manual Xref Database
103885513 ChemSpider
View more database links