input word = C00005597

Metabolite InformationStructural formula
Name Tamarixetin 3,7-diglucoside
Quercetin 4'-methyl ether 3,7-diglucoside
3,7-Bis(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C28H32O17
Mw 640.1639496
CAS RN 165460-84-4
C_ID C00005597 ,
InChIKey XNKMKJDPUXBNMH-PIHYUUDINA-N
InChICode InChI=1S/C28H32O17/c1-40-13-3-2-9(4-11(13)31)25-26(45-28-24(39)22(37)19(34)16(8-30)44-28)20(35)17-12(32)5-10(6-14(17)42-25)41-27-23(38)21(36)18(33)15(7-29)43-27/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3/t15-,16+,18+,19+,21-,22-,23+,24+,27+,28-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)OC)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
PlantaeRutaceaeZanthoxylum bungeanum Ref.
zoom in