CHEBI:80890 - Picrasin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Picrasin B
ChEBI ID CHEBI:80890
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28O6
Net Charge 0
Average Mass 376.44340
Monoisotopic Mass 376.18859
InChI InChI=1S/C21H28O6/c1-9-6-13(22)19(25)21(4)11(9)7-14-20(3)12(8-15(23)27-14)10(2)17(26-5)16(24)18(20)21/h9,11-14,18,22H,6-8H2,1-5H3/t9-,11+,12+,13+,14-,18+,20-,21+/m1/s1
InChIKey GESOKLRVLMVNMO-WCAPFRRUSA-N
SMILES COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
ChEBI Ontology
Outgoing Picrasin B (CHEBI:80890) is a triterpenoid (CHEBI:36615)
Synonym Source
Nigakilactone I KEGG COMPOUND
Manual Xref Database
C17050 KEGG COMPOUND
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Registry Number Type Source
26121-56-2 CAS Registry Number KEGG COMPOUND