CHEBI:9135 - Shikodonin

ChEBI IDCHEBI:9135
ChEBI NameShikodonin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H26O6
Net Charge0
Average Mass362.422
Monoisotopic Mass362.17294
SMILES[H][C@@]12[C@@H](O)OC[C@]1(C)CCC[C@]21COC(=O)[C@@]23C[C@@H](C[C@@H](O)[C@]21[H])C(=C)C3=O
InChIInChI=1S/C20H26O6/c1-10-11-6-12(21)13-19(9-26-17(24)20(13,7-11)15(10)22)5-3-4-18(2)8-25-16(23)14(18)19/h11-14,16,21,23H,1,3-9H2,2H3/t11-,12-,13+,14-,16+,18+,19-,20+/m1/s1
InChIKeyBTRYMTRPHJVMRG-KTSQQWMFSA-N
ChEBI Ontology
Outgoing Relation(s)
Shikodonin (CHEBI:9135) is a δ-lactone (CHEBI:18946)
Synonym  Source
ShikodoninKEGG COMPOUND
Manual XrefsDatabases
C09184KEGG COMPOUND
C00003481KNApSAcK
Registry NumbersSources
CAS:66548-00-3KEGG COMPOUND