CHEBI:175337 - Asteltoxin

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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
ChEBI ID CHEBI:175337
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H30O7
Net Charge 0
Average Mass 418.486
Monoisotopic Mass 418.19915
InChI InChI=1S/C23H30O7/c1-6-18-23(4,26)22(3)20(25)16(29-21(22)30-18)12-10-8-7-9-11-15-14(2)17(27-5)13-19(24)28-15/h7-13,16,18,20-21,25-26H,6H2,1-5H3/b8-7+,11-9+,12-10+/t16-,18-,20+,21+,22+,23+/m1/s1
InChIKey GPXPJKFETRLRAS-AHUKKWBBSA-N
SMILES O1[C@@]2(O[C@@H]([C@H](O)[C@@]2([C@@](O)([C@H]1CC)C)C)/C=C/C=C/C=C/C=3OC(=O)C=C(OC)C3C)[H]
ChEBI Ontology
Outgoing Asteltoxin (CHEBI:175337) is a furofuran (CHEBI:47790)
IUPAC Name
6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,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]-4-methoxy-5-methylpyran-2-one
Manual Xref Database
4942641 ChemSpider
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Registry Number Type Source
79663-49-3 CAS Registry Number ChemIDplus