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CHEBI:202042 - Oxysporidinone dimethyl ketal

ChEBI IDCHEBI:202042
ChEBI NameOxysporidinone dimethyl ketal
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SubmitterMetaboLights
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FormulaC30H49NO7
Net Charge0
Average Mass535.722
Monoisotopic Mass535.35090
SMILESCCC(C)CC(C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c([C@@]3(O)CCC(OC)(OC)C[C@@H]3O)cn(C)c2=O)CC[C@H]1C
InChIInChI=1S/C30H49NO7/c1-9-18(2)14-19(3)15-21(5)27-20(4)10-11-23(38-27)25-26(33)22(17-31(6)28(25)34)30(35)13-12-29(36-7,37-8)16-24(30)32/h15,17-20,23-24,27,32-33,35H,9-14,16H2,1-8H3/b21-15+/t18?,19?,20-,23+,24+,27-,30+/m1/s1
InChIKeyOKLOELQSMKXXGE-HBPQRMMKSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (16562855)
ChEBI Ontology
Outgoing Relation(s)
Oxysporidinone dimethyl ketal (CHEBI:202042) is a terpene glycoside (CHEBI:61777)
IUPAC Name 
5-[(1S,2S)-1,2-dihydroxy-4,4-dimethoxycyclohexyl]-3-[(2S,5R,6R)-6-[(E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-1-methylpyridin-2-one
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