CHEBI:80391 - Medicarpin 3-O-glucoside-6'-malonate

ChEBI IDCHEBI:80391
ChEBI NameMedicarpin 3-O-glucoside-6'-malonate
Stars
DownloadsMolfile
FormulaC25H26O12
Net Charge0
Average Mass518.471
Monoisotopic Mass518.14243
SMILES[H][C@@]12COc3cc(O[C@@H]4O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O)ccc3[C@]1([H])Oc1cc(OC)ccc12
InChIInChI=1S/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)/t15-,18+,21+,22-,23+,24-,25+/m0/s1
InChIKeyBQAJKXKYTQTBDK-PCHDOLKHSA-N
ChEBI Ontology
Outgoing Relation(s)
Medicarpin 3-O-glucoside-6'-malonate (CHEBI:80391) is a pterocarpans (CHEBI:26377)
Manual XrefsDatabases
C00010184KNApSAcK
C16224KEGG COMPOUND