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CHEBI:208442 - Verrucosidinol acetate

ChEBI IDCHEBI:208442
ChEBI NameVerrucosidinol acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O8
Net Charge0
Average Mass476.566
Monoisotopic Mass476.24102
SMILESCOc1c(C)c(C(C)(O)[C@@H](OC(C)=O)/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/C26H36O8/c1-13(12-24(7)23-26(9,34-23)17(5)33-24)11-14(2)20(31-18(6)27)25(8,29)21-15(3)19(30-10)16(4)22(28)32-21/h11-12,17,20,23,29H,1-10H3/b13-12+,14-11+/t17-,20+,23+,24+,25?,26-/m1/s1
InChIKeyBWFBYMWNGMAUMC-KHGFTXIWSA-N
Species of MetaboliteComponentSourceComments
Penicillium aurantiogriseum (ncbitaxon:36655) - PubMed (21139842)
ChEBI Ontology
Outgoing Relation(s)
Verrucosidinol acetate (CHEBI:208442) is a pyranone (CHEBI:37963)
IUPAC Name 
[(3S,4E,6E)-2-hydroxy-2-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)-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-3-yl] acetate
Manual XrefsDatabases
78438449ChemSpider