CHEBI:6459 - Ligulatin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ligulatin B
ChEBI ID CHEBI:6459
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H22O5
Net Charge 0
Average Mass 306.354
Monoisotopic Mass 306.14672
InChI InChI=1S/C17H22O5/c1-9-4-5-12-10(2)16(20)22-15(12)17(8-21-11(3)18)13(9)6-7-14(17)19/h9,12-13,15H,2,4-8H2,1,3H3/t9-,12-,13-,15+,17-/m0/s1
InChIKey BDTUWJXMQGOJIJ-AUPGVYSRSA-N
SMILES C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]2(COC(C)=O)[C@H]1CCC2=O
ChEBI Ontology
Outgoing Ligulatin B (CHEBI:6459) is a sesquiterpene lactone (CHEBI:37667)
Synonyms Sources
Incanin KEGG COMPOUND
Ligulatin B KEGG COMPOUND
Manual Xrefs Databases
C00003316 KNApSAcK
C09494 KEGG COMPOUND
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Registry Number Type Source
31299-06-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014