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CHEBI:80172 - Hydroxychlorobactene glucoside

Default Structure
ChEBI IDCHEBI:80172
ChEBI NameHydroxychlorobactene glucoside
Stars
DownloadsMolfile
FormulaC46H64O6
Net Charge0
Average Mass713.012
Monoisotopic Mass712.47029
SMILESCC(/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\c1c(C)ccc(C)c1C
InChIInChI=1S/C46H64O6/c1-32(17-11-12-18-33(2)20-15-24-36(5)26-29-40-38(7)28-27-37(6)39(40)8)19-13-21-34(3)22-14-23-35(4)25-16-30-46(9,10)52-45-44(50)43(49)42(48)41(31-47)51-45/h11-15,17-24,26-29,41-45,47-50H,16,25,30-31H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,29-26+,32-17+,33-18+,34-21+,35-23+,36-24+/t41-,42-,43+,44-,45+/m1/s1
InChIKeyGYOAOIUWKMSJGW-SAGFKILGSA-N
ChEBI Ontology
Outgoing Relation(s)
Hydroxychlorobactene glucoside (CHEBI:80172) is a triterpenoid (CHEBI:36615)
Manual XrefsDatabases
C15914KEGG COMPOUND