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CHEBI:144296 - Roccellin

ChEBI IDCHEBI:144296
ChEBI NameRoccellin
Stars
Submittermwilliams
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FormulaC21H24O11
Net Charge0
Average Mass452.412
Monoisotopic Mass452.13186
SMILESCC(=O)OC[C@H]1O[C@@H](Oc2cc3oc(C)cc(=O)c3c(O)c2C)[C@H](OC(C)=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H24O11/c1-8-5-12(24)16-14(29-8)6-13(9(2)17(16)25)31-21-20(30-11(4)23)19(27)18(26)15(32-21)7-28-10(3)22/h5-6,15,18-21,25-27H,7H2,1-4H3/t15-,18-,19+,20-,21-/m1/s1
InChIKeyAFCAWRFTSGVRQA-CMWLGVBASA-N
ChEBI Ontology
Outgoing Relation(s)
Roccellin (CHEBI:144296) is a glycoside (CHEBI:24400)