CHEBI:6091 - Jodrellin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Jodrellin A
ChEBI ID CHEBI:6091
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H30O6
Net Charge 0
Average Mass 448.507
Monoisotopic Mass 448.20972
InChI InChI=1S/C24H32O8/c1-12-7-19(29-13(2)25)24-17(22(12,4)18-8-15-5-6-27-20(15)32-18)9-16(10-23(24)11-28-23)31-21(24)30-14(3)26/h5-6,12,15-21H,7-11H2,1-4H3/t12-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24?/m1/s1
InChIKey CEUOLEQPGHORRY-HKIGURNISA-N
SMILES C[C@@H]1C[C@H](OC(C)=O)C23[C@@H](OC(C)=O)O[C@H](C[C@@H]2[C@@]1(C)C1C[C@H]2C=CO[C@H]2O1)C[C@]31CO1
ChEBI Ontology
Outgoing Jodrellin A (CHEBI:6091) is a furofuran (CHEBI:47790)
Synonym Source
Jodrellin A KEGG COMPOUND
Manual Xrefs Databases
C00003447 KNApSAcK
C09121 KEGG COMPOUND
View more database links
Registry Number Type Source
124901-80-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014