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CHEBI:226856 - Sch 210792

ChEBI IDCHEBI:226856
ChEBI NameSch 210792
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SubmitterMetaboLights
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FormulaC25H35NO6
Net Charge0
Average Mass445.556
Monoisotopic Mass445.24644
SMILESC/C=C(\C)[C@@H]1C=C[C@@H]2C[C@H](C)C[C@H](C)[C@H]2[C@@H]1/C(O)=C1/C(=O)N[C@H](C[C@@](C)(O)C(=O)O)C1=O
InChIInChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20-/t12-,14+,15-,16+,17-,18-,19-,25-/m1/s1
InChIKeyAVZATKWNGXCSDN-FRNHIKLPSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (16872138)
ChEBI Ontology
Outgoing Relation(s)
Sch 210792 (CHEBI:226856) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R)-3-[(2R,4Z)-4-[[(1S,2R,4aS,6R,8S,8aR)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-hydroxymethylidene]-3,5-dioxopyrrolidin-2-yl]-2-hydroxy-2-methylpropanoic acid
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28639034ChemSpider