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CHEBI:7803 - Otobain

Default Structure
ChEBI IDCHEBI:7803
ChEBI NameOtobain
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H20O4
Net Charge0
Average Mass324.376
Monoisotopic Mass324.13616
SMILESC[C@H]1[C@H](c2ccc3c(c2)OCO3)c2c(ccc3c2OCO3)C[C@@H]1C
InChIInChI=1S/C20H20O4/c1-11-7-13-4-6-16-20(24-10-22-16)19(13)18(12(11)2)14-3-5-15-17(8-14)23-9-21-15/h3-6,8,11-12,18H,7,9-10H2,1-2H3/t11-,12+,18+/m0/s1
InChIKeyHTUIKPYRGODLDO-VNBZBWLYSA-N
ChEBI Ontology
Outgoing Relation(s)
Otobain (CHEBI:7803) is a lignan (CHEBI:25036)
Synonym  Source
OtobainKEGG COMPOUND
Manual XrefsDatabases
C00002614KNApSAcK
C10728KEGG COMPOUND
Registry NumbersSources
CAS:3738-01-0KEGG COMPOUND