input word = C00014057

Metabolite InformationStructural formula
Name Isocytisoside 6''-O-beta-D-apiofuranoside
Formula C27H30O14
Mw 578.16355567
CAS RN 360562-71-6
C_ID C00014057 ,
InChIKey DYQYRCPNMMAFPB-GKIJNPGONA-N
InChICode InChI=1S/C27H30O14/c1-37-12-4-2-11(3-5-12)15-6-13(29)18-16(40-15)7-14(30)19(21(18)32)24-23(34)22(33)20(31)17(41-24)8-38-26-25(35)27(36,9-28)10-39-26/h2-7,17,20,22-26,28,30-36H,8-10H2,1H3/t17-,20-,22-,23-,24-,25+,26+,27+/m0/s1
SMILES COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4OC(CO[C@@H]5OCC(O)(CO)[C@@H]5O)[C@@H](O)[C@H](O)C4O)c(O)cc3o2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraceaeAnthurium versicolor Ref.
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