input word = C00005648

Metabolite InformationStructural formula
Name Patuletin 3,7-diglucoside
Quercetagetin 6-methyl ether 3,7-diglucoside
2-(3,4-Dihydroxyphenyl)-3,7-bis(beta-D-glucopyranosyloxy)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one
Formula C28H32O18
Mw 656.15886422
CAS RN 33530-68-6
C_ID C00005648 ,
InChIKey LFEVAVXNEAXTBG-LCQDUQQVNA-N
InChICode InChI=1S/C28H32O18/c1-41-25-12(43-27-22(39)20(37)16(33)13(6-29)44-27)5-11-15(18(25)35)19(36)26(24(42-11)8-2-3-9(31)10(32)4-8)46-28-23(40)21(38)17(34)14(7-30)45-28/h2-5,13-14,16-17,20-23,27-35,37-40H,6-7H2,1H3/t13-,14-,16-,17-,20+,21+,22-,23-,27-,28+/m1/s1
SMILES c1(c(c(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)O)O)OC)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
PlantaeAsteraceaeArnica montana Ref.
PlantaeAsteraceaeLasthenia conjugens Ref.
PlantaeAsteraceaeLasthenia fremontii Ref.
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