CHEBI:31238 - Arnottin II

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Arnottin II
ChEBI ID CHEBI:31238
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H14O7
Net Charge 0
Average Mass 366.322
Monoisotopic Mass 366.07395
InChI InChI=1S/C20H14O7/c1-23-13-4-3-12-16(17(13)24-2)19(22)27-20(12)6-5-10-7-14-15(26-9-25-14)8-11(10)18(20)21/h3-8H,9H2,1-2H3/t20-/m1/s1
InChIKey JEHSMJTYFMMHKE-HXUWFJFHSA-N
SMILES COc1ccc2c(C(=O)O[C@]22C=Cc3cc4OCOc4cc3C2=O)c1OC
ChEBI Ontology
Outgoing Arnottin II (CHEBI:31238) is a 2-benzofurans (CHEBI:38831)
Synonym Source
Arnottin II KEGG COMPOUND
Manual Xref Database
C12258 KEGG COMPOUND
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Last Modified
28 July 2014