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CHEBI:140802 - icas#3(1-)

Default Structure
ChEBI IDCHEBI:140802
ChEBI Nameicas#3(1-)
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC24H30NO7
Net Charge-1
Average Mass444.504
Monoisotopic Mass444.20278
SMILESC[C@H](CCCC/C=C/C(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2cnc3ccccc23)C[C@H]1O
InChIInChI=1S/C24H31NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h6-8,10-12,14-16,20-21,24-26H,3-5,9,13H2,1-2H3,(H,27,28)/p-1/b12-6+/t15-,16+,20-,21-,24-/m1/s1
InChIKeyMHHAGCKXSLPDOU-SUOYGWGXSA-M
ChEBI Ontology
Outgoing Relation(s)
icas#3(1-) (CHEBI:140802) is a organic molecular entity (CHEBI:50860)