input word = C00006247

Metabolite InformationStructural formula
Name Isofurcatain 7-O-glucoside
Formula C27H30O14
Mw 578.16355567
CAS RN 83463-97-2
C_ID C00006247 ,
InChIKey APWMDTDHMWULDZ-XFIKJAQQNA-N
InChICode InChI=1S/C27H30O14/c1-9-19(31)22(34)24(36)26(38-9)18-15(40-27-25(37)23(35)20(32)16(8-28)41-27)7-14-17(21(18)33)12(30)6-13(39-14)10-2-4-11(29)5-3-10/h2-7,9,16,19-20,22-29,31-37H,8H2,1H3/t9-,16+,19-,20+,22-,23-,24+,25+,26-,27+/m0/s1
SMILES C[C@@H]1O[C@@H](c2c(O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)C(O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMetzgeriaceaeMetzgeria furcata Ref.
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