CHEBI:185287 - (-)-Salvisyriacolide

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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 (-)-Salvisyriacolide
ChEBI ID CHEBI:185287
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H40O6
Net Charge 0
Average Mass 436.589
Monoisotopic Mass 436.28249
InChI InChI=1S/C25H40O6/c1-15(6-8-18-16(2)12-21(29)31-18)7-9-19-23(3)11-10-20(28)24(4,14-26)22(23)17(27)13-25(19,5)30/h6,12,17-20,22,26-28,30H,7-11,13-14H2,1-5H3/b15-6+/t17?,18?,19-,20-,22?,23-,24+,25-/m1/s1
InChIKey WCXUHQRLXBOHIU-DYDICELHSA-N
SMILES OC1C2[C@@]([C@H]([C@](O)(C1)C)CC/C(/C)=C/CC3OC(=O)C=C3C)(CC[C@@H](O)[C@@]2(CO)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-Salvisyriacolide (CHEBI:185287) is a diterpene lactone (CHEBI:49193)
IUPAC Name
2-[(E)-5-[(1R,2R,4S,5S,6R,8aS)-2,4,6-trihydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enyl]-3-methyl-2H-uran-5-one
Manual Xref Database
24846835 ChemSpider
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