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CHEBI:80700 - Discodermolide

ChEBI IDCHEBI:80700
ChEBI NameDiscodermolide
Stars
DownloadsMolfile
FormulaC33H55NO8
Net Charge0
Average Mass593.802
Monoisotopic Mass593.39277
SMILESC=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O)[C@H]1C
InChIInChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,31-/m0/s1
InChIKeyAADVCYNFEREWOS-OBRABYBLSA-N
ChEBI Ontology
Outgoing Relation(s)
Discodermolide (CHEBI:80700) is a diterpenoid (CHEBI:23849)
Manual XrefsDatabases
C16746KEGG COMPOUND
Registry NumbersSources
CAS:127943-53-7KEGG COMPOUND