input word = C00004239

Metabolite InformationStructural formula
Name Pectolinarigenin 7-(6''-methylglucuronide)
Formula C24H24O12
Mw 504.12677623
CAS RN 70938-59-9
C_ID C00004239 ,
InChIKey BWUMQHHQRFRBKZ-XZFVYJNZNA-N
InChICode InChI=1S/C24H24O12/c1-31-11-6-4-10(5-7-11)13-8-12(25)16-14(34-13)9-15(21(32-2)17(16)26)35-24-20(29)18(27)19(28)22(36-24)23(30)33-3/h4-9,18-20,22,24,26-29H,1-3H3/t18-,19-,20+,22+,24+/m0/s1
SMILES COC(=O)C1O[C@@H](Oc2cc3oc(-c4ccc(OC)cc4)cc(=O)c3c(O)c2OC)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeComanthosphace japonica Ref.
zoom in