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CHEBI:181161 - NCGC00347826-02

ChEBI IDCHEBI:181161
ChEBI NameNCGC00347826-02
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESCC(=O)OC1CC(C)C2(CCC3(CC(=O)OC3O)O2)C2(C)CCCC(C)(C)C12
InChIInChI=1S/C22H34O6/c1-13-11-15(26-14(2)23)17-19(3,4)7-6-8-20(17,5)22(13)10-9-21(28-22)12-16(24)27-18(21)25/h13,15,17-18,25H,6-12H2,1-5H3
InChIKeyMQGBHJVUCRXIRM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
NCGC00347826-02 (CHEBI:181161) is a diterpene lactone (CHEBI:49193)
Manual XrefsDatabases
29813985ChemSpider