CHEBI:192160 - 6'beta-Hydroxylovastatin

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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 6'beta-Hydroxylovastatin
ChEBI ID CHEBI:192160
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H36O6
Net Charge 0
Average Mass 420.546
Monoisotopic Mass 420.25119
InChI InChI=1S/C24H36O6/c1-5-14(2)23(27)30-20-13-24(4,28)12-16-7-6-15(3)19(22(16)20)9-8-18-10-17(25)11-21(26)29-18/h6-7,12,14-15,17-20,22,25,28H,5,8-11,13H2,1-4H3/t14-,15-,17+,18+,19-,20-,22-,24+/m0/s1
InChIKey FUCXPWLYQFERRA-QOPMPQMQSA-N
SMILES O([C@@H]1[C@@]2([C@H]([C@H](C=CC2=C[C@@](O)(C1)C)C)CC[C@H]3OC(=O)C[C@H](O)C3)[H])C(=O)[C@H](CC)C
Metabolite of Species Details
Marine plankton environmental sample (NCBI:txid632957) Found in endometabolome (MTBLS:000125). See: MetaboLights Study
ChEBI Ontology
Outgoing 6'beta-Hydroxylovastatin (CHEBI:192160) is a δ-lactone (CHEBI:18946)
IUPAC Name
[(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] (2S)-2-methylbutanoate
Manual Xref Database
52083637 ChemSpider
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Registry Number Type Source
125638-71-3 CAS Registry Number ChemIDplus