input word = C00004248

Metabolite InformationStructural formula
Name Isoscutellarein 7-allosyl-(1->2)-glucoside
Formula C27H30O16
Mw 610.15338491
CAS RN 96627-12-2
C_ID C00004248 ,
InChIKey PTKNECMMKRDZEG-CSNGUHFLNA-N
InChICode InChI=1S/C27H30O16/c28-7-15-18(33)21(36)23(38)26(41-15)43-25-22(37)19(34)16(8-29)42-27(25)40-14-6-12(32)17-11(31)5-13(39-24(17)20(14)35)9-1-3-10(30)4-2-9/h1-6,15-16,18-19,21-23,25-30,32-38H,7-8H2/t15-,16-,18-,19-,21+,22+,23-,25-,26+,27-/m1/s1
SMILES c1(cc(c2c(c1O)oc(cc2=O)c1ccc(cc1)O)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]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSideritis leucantha Ref.
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