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CHEBI:212300 - Spirostaphylotrichin M diacetat (4R*,5S)

Default Structure
ChEBI IDCHEBI:212300
ChEBI NameSpirostaphylotrichin M diacetat (4R*,5S)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21NO7
Net Charge0
Average Mass363.366
Monoisotopic Mass363.13180
SMILESC=C1[C@H](OC(C)=O)[C@]2(C(=O)N1OC)C1OC(C=C1OC(C)=O)[C@H]2/C=C/C
InChIInChI=1S/C18H21NO7/c1-6-7-12-13-8-14(24-10(3)20)16(26-13)18(12)15(25-11(4)21)9(2)19(23-5)17(18)22/h6-8,12-13,15-16H,2H2,1,3-5H3/b7-6+/t12-,13?,15+,16?,18+/m1/s1
InChIKeySFPQBIKASSTKBL-XFUOYAIQSA-N
Species of MetaboliteComponentSourceComments
Staphylotrichum coccosporum (ncbitaxon:370955) - DOI (10.1002/hlca.19890720529)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Spirostaphylotrichin M diacetat (4R*,5S) (CHEBI:212300) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
[(3'R,5S,6S)-2-acetyloxy-1'-methoxy-2'-methylidene-5'-oxo-5-[(E)-prop-1-enyl]spiro[7-oxabicyclo[2.2.1]hept-2-ene-6,4'-pyrrolidine]-3'-yl] acetate
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78438545ChemSpider