input word = C00035656

Metabolite InformationStructural formula
Name Hypolaetin 7-O-glucuronide
Formula C21H18O13
Mw 478.07474066
CAS RN 215118-17-5
C_ID C00035656 ,
InChIKey CYORLZHGHXKUEM-VIKNFYPQNA-N
InChICode InChI=1S/C21H18O13/c22-7-2-1-6(3-8(7)23)11-4-9(24)13-10(25)5-12(14(26)18(13)32-11)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-5,15-17,19,21-23,25-29H,(H,30,31)/t15-,16-,17+,19-,21+/m0/s1
SMILES O=C(O)[C@H]1OC(Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2O)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeStachys alopecuros (L.) Benth. Ref.
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