input word = C00005921

Metabolite InformationStructural formula
Name Sagittain B
Formula C34H40O19
Mw 752.2163791
CAS RN 124723-15-5
C_ID C00005921 ,
InChIKey XPOMJTXGTOOETR-ITCJOWMINA-N
InChICode InChI=1S/C34H40O19/c1-11-21(39)24(42)26(44)33(47-11)50-16-8-17(37)20-19(9-16)51-29(14-4-6-15(36)7-5-14)30(23(20)41)53-34-27(45)31(28(12(2)48-34)49-13(3)35)52-32-25(43)22(40)18(38)10-46-32/h4-9,11-12,18,21-22,24-28,31-34,36-40,42-45H,10H2,1-3H3/t11-,12+,18+,21+,22+,24+,25+,26-,27+,28+,31+,32+,33+,34-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)OC(=O)C)C)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium sagittatum Ref.
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