input word = C00004165

Metabolite InformationStructural formula
Name Apigenin 7,4'-diglucoside
7-(beta-D-glucopyranosyloxy)-2-[4-(beta-D-glucopyranosyloxy)phenyl]-5-hydroxy-4H-1-benzopyran-4-one
Formula C27H30O15
Mw 594.15847029
CAS RN 31737-50-5
C_ID C00004165 ,
InChIKey LBSOMIGNTZVUQN-PNJRDZAFNA-N
InChICode InChI=1S/C27H30O15/c28-8-17-20(32)22(34)24(36)26(41-17)38-11-3-1-10(2-4-11)15-7-14(31)19-13(30)5-12(6-16(19)40-15)39-27-25(37)23(35)21(33)18(9-29)42-27/h1-7,17-18,20-30,32-37H,8-9H2/t17-,18-,20+,21+,22-,23+,24-,25-,26+,27+/m0/s1
SMILES c1(cc(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCrotalaria juncea Ref.
PlantaeFabaceaeIndigofera mysorensis Ref.
PlantaeLabiataeSalvia patens Ref.
PlantaeLabiataeSalvia ulginosa Ref.
PlantaeOxalidaceaeOxalis corniculata Ref.
PlantaeTaxaceaeTaxus baccata Ref.
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