CHEBI:226144 - Asteltoxin C

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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 C
ChEBI ID CHEBI:226144
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H28O7
Net Charge 0
Average Mass 404.459
Monoisotopic Mass 404.18350
InChI InChI=1S/C22H28O7/c1-13-15(28-18(23)12-17(13)26-5)10-8-6-7-9-11-16-19(24)21(3)20(29-16)27-14(2)22(21,4)25/h6-12,14,16,19-20,24-25H,1-5H3/b7-6+,10-8+,11-9+/t14-,16-,19+,20-,21+,22+/m1/s1
InChIKey DTHZYTRJZMDQLM-QWMBVKPUSA-N
SMILES O=C1OC(=C(C)C(=C1)OC)/C=C/C=C/C=C/[C@H]2O[C@H]3O[C@H](C)[C@@]([C@]3([C@H]2O)C)(O)C
Metabolite of Species Details
Pochonia (NCBI:txid243023) See: PubMed
ChEBI Ontology
Outgoing Asteltoxin C (CHEBI:226144) is a furofuran (CHEBI:47790)
IUPAC Name
6-[(1E,3E,5E)-6-[(2R,3R,3aR,4R,5R,6aS)-3,4-dihydroxy-2,3,3a-trimethyl-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
29814025 ChemSpider
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