input word = C00004238

Metabolite InformationStructural formula
Name Pectolinarigenin 7-glucuronide
Formula C23H22O12
Mw 490.11112617
CAS RN 70938-60-2
C_ID C00004238 ,
InChIKey ZEKXCIHGJAZTEW-ZWCGFDSSNA-N
InChICode InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)12-7-11(24)15-13(33-12)8-14(20(32-2)16(15)25)34-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17-,18-,19+,21+,23+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)OC)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
PlantaeLabiataeComanthosphace japonica Ref.
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