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CHEBI:212110 - Methyl isoverrucosidinol

ChEBI IDCHEBI:212110
ChEBI NameMethyl isoverrucosidinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O7
Net Charge0
Average Mass448.556
Monoisotopic Mass448.24610
SMILESCOc1c(C)c([C@@](C)(O)[C@@H](OC)/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@H]32)oc(=O)c1C
InChIInChI=1S/C25H36O7/c1-13(12-23(6)22-25(8,32-22)17(5)31-23)11-14(2)19(29-10)24(7,27)20-15(3)18(28-9)16(4)21(26)30-20/h11-12,17,19,22,27H,1-10H3/b13-12+,14-11+/t17-,19+,22+,23+,24+,25-/m1/s1
InChIKeyXACWUZWKNYHMQT-NPPKBJIRSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27548192)
ChEBI Ontology
Outgoing Relation(s)
Methyl isoverrucosidinol (CHEBI:212110) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(2S,3S,4E,6E)-2-hydroxy-3-methoxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-4,6-dien-2-yl]-4-methoxy-3,5-dimethylpyran-2-one
Manual XrefsDatabases
58197162ChemSpider