CHEBI:3829 - Columbin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Columbin
ChEBI ID CHEBI:3829
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22O6
Net Charge 0
Average Mass 358.386
Monoisotopic Mass 358.14164
InChI InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13+,14-,15-,18+,19+,20-/m0/s1
InChIKey AALLCALQGXXWNA-QJNFORGASA-N
SMILES C[C@@]12C[C@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)C=C2)c1ccoc1
ChEBI Ontology
Outgoing Columbin (CHEBI:3829) is a organic heterotricyclic compound (CHEBI:26979)
Columbin (CHEBI:3829) is a organooxygen compound (CHEBI:36963)
Synonym Source
Columbin KEGG COMPOUND
Manual Xrefs Databases
C00003417 KNApSAcK
C09077 KEGG COMPOUND
View more database links
Registry Number Type Source
546-97-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014