EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:747848 - sporandol(1-)

Default Structure
ChEBI IDCHEBI:747848
ChEBI Namesporandol(1-)
Stars
Last Modified4 June 2026
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC28H25O8
Net Charge-1
Average Mass489.500
Monoisotopic Mass489.15549
SMILESCOc1cc2cc(C)c(C(C)=O)c(O)c2c([O-])c1-c1c(OC)cc2cc(C)c(C(C)=O)c(O)c2c1O
InChIInChI=1S/C28H26O8/c1-11-7-15-9-17(35-5)23(27(33)21(15)25(31)19(11)13(3)29)24-18(36-6)10-16-8-12(2)20(14(4)30)26(32)22(16)28(24)34/h7-10,31-34H,1-6H3/p-1
InChIKeyRWIGLPLTVRHAGL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
sporandol(1-) (CHEBI:747848) is a phenolate anion (CHEBI:50525)
UniProt Name  Source
sporandolUniProt
Manual XrefsDatabases
CPD-27856MetaCyc
Citations