input word = C00013611

Metabolite InformationStructural formula
Name Apigenin 7-cellobioside-4'-glucoside
5,7,4'-Trihydroxyflavone 7-cellobioside-4'-glucoside
7-[(4-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one
Formula C33H40O20
Mw 756.21129372
CAS RN 211096-98-9
C_ID C00013611 ,
InChIKey NVYCRSROJRTVQP-JEZCECDANA-N
InChICode InChI=1S/C33H40O20/c34-8-18-22(39)24(41)27(44)31(50-18)47-12-3-1-11(2-4-12)16-7-15(38)21-14(37)5-13(6-17(21)49-16)48-32-29(46)26(43)30(20(10-36)52-32)53-33-28(45)25(42)23(40)19(9-35)51-33/h1-7,18-20,22-37,39-46H,8-10H2/t18-,19-,20-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,32-,33+/m1/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia uliginosa Ref.
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