CHEBI:81144 - Isocolumbin

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ChEBI Name Isocolumbin
ChEBI ID CHEBI:81144
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H22O6
Net Charge 0
Average Mass 358.38510
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-VBFYFJBNSA-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 Isocolumbin (CHEBI:81144) is a organic heterotricyclic compound (CHEBI:26979)
Isocolumbin (CHEBI:81144) is a organooxygen compound (CHEBI:36963)
Manual Xref Database
C17508 KEGG COMPOUND
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