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CHEBI:218367 - Norverrucosidinol acetate

ChEBI IDCHEBI:218367
ChEBI NameNorverrucosidinol acetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O8
Net Charge0
Average Mass462.539
Monoisotopic Mass462.22537
SMILESCOc1cc(=O)oc([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)c1C
InChIInChI=1S/C25H34O8/c1-13(12-23(6)22-25(8,33-22)16(4)32-23)10-14(2)20(30-17(5)26)24(7,28)21-15(3)18(29-9)11-19(27)31-21/h10-12,16,20,22,28H,1-9H3/b13-12+,14-10+/t16-,20+,22+,23+,24+,25-/m1/s1
InChIKeyTUTTYOWVZRAQPK-HKGCJKPWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1177/1934578X1801301024)
ChEBI Ontology
Outgoing Relation(s)
Norverrucosidinol acetate (CHEBI:218367) is a pyranone (CHEBI:37963)
IUPAC Name 
[(2S,3S,4E,6E)-2-hydroxy-2-(4-methoxy-3-methyl-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
71048689ChemSpider