CHEBI:197548 - Spiroleptosphol B

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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 Spiroleptosphol B
ChEBI ID CHEBI:197548
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H28O5
Net Charge 0
Average Mass 336.428
Monoisotopic Mass 336.19367
InChI InChI=1S/C19H28O5/c1-5-11(2)10-12(3)6-7-13-8-9-14(20)15-19(13)16(21)18(4,23-15)24-17(19)22/h6-9,11-16,20-21H,5,10H2,1-4H3/b7-6+/t11-,12+,13-,14-,15+,16?,18-,19-/m1/s1
InChIKey KMJIBJZHUZVXRL-GIDIXUSBSA-N
SMILES O=C1O[C@]2(O[C@@H]3[C@]1([C@@H](C=C[C@H]3O)/C=C/[C@@H](C[C@@H](CC)C)C)C2O)C
Metabolite of Species Details
Leptosphaeria doliolum (NCBI:txid28988) See: PubMed
ChEBI Ontology
Outgoing Spiroleptosphol B (CHEBI:197548) is a ketal (CHEBI:59777)
IUPAC Name
(1S,2R,5R,6R,8R)-2-[(E,3R,5R)-3,5-dimethylhept-1-enyl]-5,11-dihydroxy-8-methyl-7,9-dioxatricyclo[6.2.1.01,6]undec-3-en-10-one
Manual Xref Database
78436227 ChemSpider
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