CHEBI:2932 - Austrobailignan 1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Austrobailignan 1
ChEBI ID CHEBI:2932
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H18O7
Net Charge 0
Average Mass 382.364
Monoisotopic Mass 382.10525
InChI InChI=1S/C21H18O7/c1-23-16-4-11(5-17-20(16)28-9-27-17)18-13-6-15-14(25-8-26-15)3-10(13)2-12-7-24-21(22)19(12)18/h3-6,12,18-19H,2,7-9H2,1H3/t12-,18+,19-/m0/s1
InChIKey GROYKMASYUMFER-RQUSPXKASA-N
SMILES COc1cc(cc2OCOc12)[C@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12
ChEBI Ontology
Outgoing Austrobailignan 1 (CHEBI:2932) is a lactone (CHEBI:25000)
Austrobailignan 1 (CHEBI:2932) is a lignan (CHEBI:25036)
Synonym Source
Austrobailignan 1 KEGG COMPOUND
Manual Xrefs Databases
C00002589 KNApSAcK
C10546 KEGG COMPOUND
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Registry Number Type Source
55955-07-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014