input word = C00006266

Metabolite InformationStructural formula
Name Fagovatin
Formula C28H32O14
Mw 592.17920573
CAS RN 113919-56-5
C_ID C00006266 ,
InChIKey ZBKDBLKCYAECJH-DKRMWIEJNA-N
InChICode InChI=1S/C28H32O14/c1-10-20(31)23(34)26(37)28(40-10)39-9-17-21(32)24(35)25(36)27(42-17)19-15(38-2)8-16-18(22(19)33)13(30)7-14(41-16)11-3-5-12(29)6-4-11/h3-8,10,17,20-21,23-29,31-37H,9H2,1-2H3/t10-,17-,20+,21-,23+,24+,25-,26-,27+,28-/m1/s1
SMILES COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1[C@@H]1OC(CO[C@@H]2OC(C)[C@H](O)[C@H](O)C2O)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeFagraea obovata Ref.
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