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CHEBI:217521 - Colletofuran E

ChEBI IDCHEBI:217521
ChEBI NameColletofuran E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O7
Net Charge0
Average Mass424.534
Monoisotopic Mass424.24610
SMILESCCCCC[C@@H](O)[C@@H]1O[C@H]1[C@@]1(OCC)OCc2c(OC[C@@H](O)C(C)(C)O)cccc21
InChIInChI=1S/C23H36O7/c1-5-7-8-11-17(24)20-21(30-20)23(28-6-2)16-10-9-12-18(15(16)13-29-23)27-14-19(25)22(3,4)26/h9-10,12,17,19-21,24-26H,5-8,11,13-14H2,1-4H3/t17-,19-,20+,21-,23+/m1/s1
InChIKeyGRIQZJKCKGCDIW-SQKWCZRTSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (32216287)
ChEBI Ontology
Outgoing Relation(s)
Colletofuran E (CHEBI:217521) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(2R)-1-[[(1S)-1-ethoxy-1-[(2R,3S)-3-[(1R)-1-hydroxyhexyl]oxiran-2-yl]-3H-2-benzouran-4-yl]oxy]-3-methylbutane-2,3-diol