input word = C00004499

Metabolite InformationStructural formula
Name Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)-glucoside
Formula C28H32O16
Mw 624.16903498
CAS RN 143061-76-1
C_ID C00004499 ,
InChIKey WDWBIQRRBRJRGX-FBUUNXOZNA-N
InChICode InChI=1S/C28H32O16/c1-39-11-4-2-10(3-5-11)14-6-12(31)18-13(32)7-15(21(35)25(18)40-14)41-28-26(23(37)20(34)17(9-30)43-28)44-27-24(38)22(36)19(33)16(8-29)42-27/h2-7,16-17,19-20,22-24,26-30,32-38H,8-9H2,1H3/t16-,17+,19+,20+,22-,23-,24+,26-,27-,28+/m0/s1
SMILES c1(cc(c2c(c1O)oc(cc2=O)c1ccc(cc1)OC)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis javalambrensis Ref.
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