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CHEBI:182640 - SCHEMBL15173027

ChEBI IDCHEBI:182640
ChEBI NameSCHEMBL15173027
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30O9
Net Charge0
Average Mass426.462
Monoisotopic Mass426.18898
SMILES[H][C@@]12C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@]1([H])[C@@]1([H])OC(=O)C(=C)[C@]1([H])CC[C@@]2(C)O
InChIInChI=1S/C21H30O9/c1-8-10-4-5-21(3,27)11-6-12(9(2)14(11)18(10)30-19(8)26)28-20-17(25)16(24)15(23)13(7-22)29-20/h10-18,20,22-25,27H,1-2,4-7H2,3H3/t10-,11+,12-,13+,14-,15+,16-,17+,18-,20+,21+/m0/s1
InChIKeyFTIDKIAZUNXNCJ-WBYQCALVSA-N
ChEBI Ontology
Outgoing Relation(s)
SCHEMBL15173027 (CHEBI:182640) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3aS,6R,6aR,8S,9aR,9bS)-6-hydroxy-6-methyl-3,9-dimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]uran-2-one
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10270387ChemSpider