input word = C00054978

Metabolite InformationStructural formula
Name 3,8-Diglucopyranosyl-4',5,6,7-tetrahydroxyflavone
Formula C27H30O16
Mw 610.15338491
CAS RN 935262-09-2
C_ID C00054978
InChIKey ZSCWWNZEQYRJNQ-KOUVURJMSA-N
InChICode InChI=1S/C27H30O16/c28-5-9-14(31)19(36)22(39)26(41-9)12-16(33)11-17(34)21(38)18(35)13(27-23(40)20(37)15(32)10(6-29)42-27)25(11)43-24(12)7-1-3-8(30)4-2-7/h1-4,9-10,14-15,19-20,22-23,26-32,34-40H,5-6H2/t9-,10-,14-,15-,19+,20+,22-,23-,26+,27+/m1/s1
SMILES OC(C=C1)=CC=C1C2=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(C4=C(O)C(O)=C(O)C([C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)=C4O2)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia fruticosa Ref.
zoom in