CHEBI:205850 - Asteltoxin E

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Asteltoxin E
ChEBI ID CHEBI:205850
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H36O9
Net Charge 0
Average Mass 516.587
Monoisotopic Mass 516.23593
InChI InChI=1S/C28H36O9/c1-7-22-28(5,32)27(4)24(30)20(36-26(27)37-22)13-11-9-8-10-12-19-18(3)21(16-23(29)35-19)34-15-14-17(2)25(31)33-6/h8-14,16,20,22,24,26,30,32H,7,15H2,1-6H3/b9-8+,12-10+,13-11+,17-14+/t20?,22-,24+,26+,27+,28+/m1/s1
InChIKey SVAOKUCSYGOWSM-FPKKALBUSA-N
SMILES O=C1OC(=C(C)C(=C1)OC/C=C(/C(=O)OC)\C)/C=C/C=C/C=C/C2O[C@H]3O[C@H](CC)[C@@]([C@]3([C@H]2O)C)(O)C
Metabolite of Species Details
Aspergillusspecies SCSIO XWS02F40 (NCBI:txid1754195) See: PubMed
ChEBI Ontology
Outgoing Asteltoxin E (CHEBI:205850) is a furofuran (CHEBI:47790)
IUPAC Name
methyl (E)-4-[2-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,6aS)-2-ethyl-3,4-dihydroxy-3,3a-dimethyl-2,4,5,6a-tetrahydrouro[2,3-b]uran-5-yl]hexa-1,3,5-trienyl]-3-methyl-6-oxopyran-4-yl]oxy-2-methylbut-2-enoate
Manual Xref Database
58196501 ChemSpider
View more database links