CHEBI:80714 - Rubratoxin B

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ChEBI Name Rubratoxin B
ChEBI ID CHEBI:80714
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H30O11
Net Charge 0
Average Mass 518.50980
Monoisotopic Mass 518.17881
InChI InChI=1S/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3/t12-,15+,16-,20+,21-,22-/m0/s1
InChIKey ZJTBTDVZNGBSNG-RETZLTROSA-N
SMILES CCCCCC[C@@H](O)[C@H]1[C@@H](O)C2=C(C[C@H](CC3=C1C(=O)OC3=O)[C@H](O)[C@@H]1CC=CC(=O)O1)C(=O)OC2=O
ChEBI Ontology
Outgoing Rubratoxin B (CHEBI:80714) is a carbonyl compound (CHEBI:36586)
Manual Xref Database
C16767 KEGG COMPOUND
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Registry Number Type Source
21794-01-4 CAS Registry Number KEGG COMPOUND