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CHEBI:3519 - Celapanine

ChEBI IDCHEBI:3519
ChEBI NameCelapanine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H35NO10
Net Charge0
Average Mass569.607
Monoisotopic Mass569.22610
SMILES[H]C1(C)CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3cccnc3)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(=O)c4ccoc4)[C@]12OC3(C)C
InChIInChI=1S/C30H35NO10/c1-16-9-10-21(37-17(2)32)29(6)25(40-26(34)19-8-7-12-31-14-19)23(38-18(3)33)22-24(30(16,29)41-28(22,4)5)39-27(35)20-11-13-36-15-20/h7-8,11-16,21-25H,9-10H2,1-6H3/t16?,21-,22+,23+,24+,25-,29-,30+/m0/s1
InChIKeyMHXMEJIEIHJTGN-GTTNOKDOSA-N
ChEBI Ontology
Outgoing Relation(s)
Celapanine (CHEBI:3519) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
CelapanineKEGG COMPOUND
Manual XrefsDatabases
C09937KEGG COMPOUND
C00001968KNApSAcK
Registry NumbersSources
CAS:52658-32-9KEGG COMPOUND