input word = C00013952

Metabolite InformationStructural formula
Name Quercetagetin 7-methyl ether 3-cellobioside
2-(3,4-Dihydroxyphenyl)-3-[(4-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5,6-dihydroxy-7-methoxy-4H-1-benzopyran-4-one
Formula C28H32O18
Mw 656.15886422
CAS RN 235741-64-7
C_ID C00013952 ,
InChIKey MUROWDSEICASRU-UIFVMBPLNA-N
InChICode InChI=1S/C28H32O18/c1-41-12-5-11-15(18(35)16(12)33)19(36)26(24(42-11)8-2-3-9(31)10(32)4-8)46-28-23(40)21(38)25(14(7-30)44-28)45-27-22(39)20(37)17(34)13(6-29)43-27/h2-5,13-14,17,20-23,25,27-35,37-40H,6-7H2,1H3/t13-,14-,17-,20+,21-,22-,23-,25-,27+,28+/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[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)c(c(c(c2)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEriocaulaceaePaepalanthus latipes Ref.
PlantaeEriocaulaceaePaepalanthus vellozioides Ref.
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