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CHEBI:6003 - Isodomedin

ChEBI IDCHEBI:6003
ChEBI NameIsodomedin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILES[H][C@@]12CC[C@H]3C(=C)C(=O)[C@]1([C@H](O)C[C@]1([H])C(C)(C)[C@@H](OC(C)=O)C[C@H](O)[C@@]21C)[C@@H]3O
InChIInChI=1S/C22H32O6/c1-10-12-6-7-13-21(5)14(8-16(25)22(13,18(10)26)19(12)27)20(3,4)17(9-15(21)24)28-11(2)23/h12-17,19,24-25,27H,1,6-9H2,2-5H3/t12-,13-,14+,15-,16+,17-,19+,21-,22-/m0/s1
InChIKeyDHKJGTMHEVCMKJ-NWWLGSBGSA-N
ChEBI Ontology
Outgoing Relation(s)
Isodomedin (CHEBI:6003) is a kaurane diterpenoid (CHEBI:53666)
Synonym  Source
IsodomedinKEGG COMPOUND
Manual XrefsDatabases
C09115KEGG COMPOUND
C00003442KNApSAcK
Registry NumbersSources
CAS:39388-61-9KEGG COMPOUND