EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86926 - S a S b S

ChEBI IDCHEBI:86926
ChEBI NameS a S b S
Stars
DownloadsMolfile
FormulaC33H40O12
Net Charge0
Average Mass628.671
Monoisotopic Mass628.25198
SMILESCOc1cc(C(Oc2c(OC)cc(C)cc2OC)C(COC(C)=O)Oc2c(OC)cc(C)cc2OC)cc(OC)c1OC(C)=O
InChIInChI=1S/C33H40O12/c1-18-11-23(36-5)32(24(12-18)37-6)44-29(17-42-20(3)34)30(45-33-25(38-7)13-19(2)14-26(33)39-8)22-15-27(40-9)31(43-21(4)35)28(16-22)41-10/h11-16,29-30H,17H2,1-10H3
InChIKeyKMOGPROVDFTQAW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
S a S b S (CHEBI:86926) is a benzoate ester (CHEBI:36054)
S a S b S (CHEBI:86926) is a phenols (CHEBI:33853)