CHEBI:198551 - Australifunginol

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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 Australifunginol
ChEBI ID CHEBI:198551
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H38O6
Net Charge 0
Average Mass 410.551
Monoisotopic Mass 410.26684
InChI InChI=1S/C23H38O6/c1-5-6-7-8-9-13(2)18-22(29)21(28)17-19(15(25)12-14(3)20(17)27)23(18,4)16(26)10-11-24/h13-15,17,19-20,24-25,27,29H,5-12H2,1-4H3/t13-,14-,15+,17+,19-,20-,23-/m1/s1
InChIKey SIPMDGHVOPMZQY-VLBDLMECSA-N
SMILES O=C1C(O)=C([C@](C(=O)CCO)(C)[C@H]2[C@H]1[C@H](O)[C@@H](C[C@@H]2O)C)[C@@H](CCCCCC)C
Metabolite of Species Details
Preussia australis (NCBI:txid55178) See: DOI
ChEBI Ontology
Outgoing Australifunginol (CHEBI:198551) is a cyclohexenones (CHEBI:48953)
IUPAC Name
(4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-(3-hydroxypropanoyl)-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
Manual Xref Database
4440359 ChemSpider
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