input word = C00004232

Metabolite InformationStructural formula
Name Hispidulin-7-O-beta-D-glucuronide
Hispidulin 7-O-beta-glucuronide
(-)-Hispidulin 7-O-beta-glucuronide
Hispidulin 7-glucuronide
Formula C22H20O12
Mw 476.09547611
CAS RN 31105-76-7
C_ID C00004232 ,
InChIKey GVEZRDBRYNJUDQ-JNFAVNEGNA-N
InChICode InChI=1S/C22H20O12/c1-31-19-13(33-22-18(28)16(26)17(27)20(34-22)21(29)30)7-12-14(15(19)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,16-18,20,22-23,25-28H,1H3,(H,29,30)/t16-,17-,18+,20+,22+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)OC)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeFernandoa adenophylla Ref.
PlantaeLabiataeScutellaria creticola Ref.
PlantaePedaliaceaePedalium murex Ref.
PlantaeVerbenaceaeVerbena bonariensis Ref.
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