input word = C00004229

Metabolite InformationStructural formula
Name Scutellarein 7-glucuronide-6-ferulate
Formula C31H26O15
Mw 638.12717016
CAS RN 97165-28-1
C_ID C00004229 ,
InChIKey XXRCMNSCVDUMPU-FHGXLZGRNA-N
InChICode InChI=1S/C31H26O15/c1-42-19-10-13(2-8-16(19)33)3-9-22(35)45-28-21(44-31-27(39)25(37)26(38)29(46-31)30(40)41)12-20-23(24(28)36)17(34)11-18(43-20)14-4-6-15(32)7-5-14/h2-12,25-27,29,31-33,36-39H,1H3,(H,40,41)/b9-3+/t25-,26-,27+,29-,31+/m0/s1
SMILES COc1cc(/C=C/C(=O)Oc2c(O[C@@H]3OC(C(=O)O)[C@@H](O)[C@H](O)C3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeHolmskioldia sanguinea Ref.
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