input word = C00005646

Metabolite InformationStructural formula
Name Patuletin 3-gentiobioside
Patuletin-3-O-beta-D-gentiobioside
Formula C28H32O18
Mw 656.15886422
CAS RN 101021-28-7
C_ID C00005646 ,
InChIKey WRDDFOFFQDOVRV-LCQDUQQVNA-N
InChICode InChI=1S/C28H32O18/c1-41-25-11(32)5-12-15(18(25)35)19(36)26(24(43-12)8-2-3-9(30)10(31)4-8)46-28-23(40)21(38)17(34)14(45-28)7-42-27-22(39)20(37)16(33)13(6-29)44-27/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 COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
PlantaeCruciferaeBrassica oleracea Ref.
PlantaeEriocaulaceaeEriocaulon buergerianum Ref.
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