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CHEBI:209004 - Verrucosidinol

ChEBI IDCHEBI:209004
ChEBI NameVerrucosidinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O7
Net Charge0
Average Mass434.529
Monoisotopic Mass434.23045
SMILESCOc1c(C)c(C(C)(O)[C@@H](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/C24H34O7/c1-12(11-22(6)21-24(8,31-21)16(5)30-22)10-13(2)18(25)23(7,27)19-14(3)17(28-9)15(4)20(26)29-19/h10-11,16,18,21,25,27H,1-9H3/b12-11+,13-10+/t16-,18+,21+,22+,23?,24-/m1/s1
InChIKeyUXTZIHZDUIRZDY-FCOAJAACSA-N
Species of MetaboliteComponentSourceComments
Penicillium aurantiogriseum (ncbitaxon:36655) - PubMed (21139842)
ChEBI Ontology
Outgoing Relation(s)
Verrucosidinol (CHEBI:209004) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
6-[(3S,4E,6E)-2,3-dihydroxy-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
78437931ChemSpider