input word = C00002823

Metabolite InformationStructural formula
Name 1-O-beta-D-glucopyranosyl emodin
Emodin 1-beta-D-glucopyranoside
Formula C21H20O10
Mw 432.10564686
CAS RN 38840-23-2
C_ID C00002823 ,
InChIKey HSWIRQIYASIOBE-DQOJFYRWNA-N
InChICode InChI=1S/C21H20O10/c1-7-2-9-14(11(24)3-7)18(27)15-10(16(9)25)4-8(23)5-12(15)30-21-20(29)19(28)17(26)13(6-22)31-21/h2-5,13,17,19-24,26,28-29H,6H2,1H3/t13-,17-,19+,20-,21-/m1/s1
SMILES c1c(cc2c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)c1c(C2=O)cc(cc1O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePicramniaceaePicramnia teapensis Tul. Ref.
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