input word = C00005821

Metabolite InformationStructural formula
Name Sagittatoside A
Formula C33H40O15
Mw 676.23672061
CAS RN 118525-35-2
C_ID C00005821 ,
InChIKey COHHGQPQHHUMDG-MRTRKXBONA-N
InChICode InChI=1S/C33H40O15/c1-13(2)5-10-17-18(35)11-19(36)21-24(39)30(28(46-29(17)21)15-6-8-16(43-4)9-7-15)47-33-31(26(41)22(37)14(3)44-33)48-32-27(42)25(40)23(38)20(12-34)45-32/h5-9,11,14,20,22-23,25-27,31-38,40-42H,10,12H2,1-4H3/t14-,20-,22-,23+,25+,26-,27+,31-,32-,33-/m0/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O)C)c1ccc(cc1)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium sagittatum Ref.
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