input word = C00005707

Metabolite InformationStructural formula
Name Corniculatusin 3,7-diglucoside
Formula C28H32O18
Mw 656.15886422
CAS RN 111133-92-7
C_ID C00005707 ,
InChIKey LUVSDJOIIMWTIG-DMTQGWJRNA-N
InChICode InChI=1S/C28H32O18/c1-41-24-12(42-27-21(39)19(37)16(34)13(6-29)43-27)5-11(33)15-18(36)26(46-28-22(40)20(38)17(35)14(7-30)44-28)23(45-25(15)24)8-2-3-9(31)10(32)4-8/h2-5,13-14,16-17,19-22,27-35,37-40H,6-7H2,1H3/t13-,14-,16-,17-,19+,20-,21-,22-,27-,28+/m1/s1
SMILES c1(cc(c2c(c1OC)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)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
PlantaeCrassulaceaeSedum alfredi Ref.
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