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CHEBI:185287 - (-)-Salvisyriacolide

ChEBI IDCHEBI:185287
ChEBI Name(-)-Salvisyriacolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H40O6
Net Charge0
Average Mass436.589
Monoisotopic Mass436.28249
SMILESCC1=CC(=O)OC1C/C=C(\C)CC[C@@H]1[C@@]2(C)CC[C@@H](O)[C@](C)(CO)C2C(O)C[C@@]1(C)O
InChIInChI=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
InChIKeyWCXUHQRLXBOHIU-DYDICELHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(-)-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
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