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CHEBI:4517 - Didrovaltratum

ChEBI IDCHEBI:4517
ChEBI NameDidrovaltratum
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H32O8
Net Charge0
Average Mass424.490
Monoisotopic Mass424.20972
SMILES[H][C@]12[C@H](OC(=O)CC(C)C)OC=C(COC(=O)CC(C)C)[C@@]1([H])C[C@H](OC(C)=O)[C@]21CO1
InChIInChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1
InChIKeyPHHROXLDZHUIGO-PNBTUHDLSA-N
ChEBI Ontology
Outgoing Relation(s)
Didrovaltratum (CHEBI:4517) is a iridoid monoterpenoid (CHEBI:50563)
Synonyms  Source
DidrovaltratumKEGG COMPOUND
DidrovaltrateKEGG COMPOUND
Manual XrefsDatabases
C09776KEGG COMPOUND
C00003078KNApSAcK
Registry NumbersSources
CAS:18296-45-2KEGG COMPOUND