CHEBI:8390 - Premarrubiin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Premarrubiin
ChEBI ID CHEBI:8390
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H28O4
Net Charge 0
Average Mass 332.435
Monoisotopic Mass 332.19876
InChI InChI=1S/C20H28O4/c1-13-11-14-15-17(2,16(21)23-14)5-4-6-18(15,3)20(13)8-7-19(24-20)9-10-22-12-19/h9-10,13-15H,4-8,11-12H2,1-3H3/t13-,14-,15+,17+,18+,19-,20-/m1/s1
InChIKey OQLCWZJEAYGVQE-TXWGWWACSA-N
SMILES C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]11CC[C@@]2(COC=C2)O1
ChEBI Ontology
Outgoing Premarrubiin (CHEBI:8390) is a γ-lactone (CHEBI:37581)
Synonym Source
Premarrubiin KEGG COMPOUND
Manual Xrefs Databases
C00003476 KNApSAcK
C09177 KEGG COMPOUND
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Registry Number Type Source
24703-43-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014