input word = C00064113

Metabolite InformationStructural formula
Name Alatanin D
Formula C55H61O29
Mw 1185.32985099
CAS RN 1978410-75-1
C_ID C00064113
InChIKey NUNFYTLYWZKLCF-BKJIKSQOSA-O
InChICode InChI=1S/C55H60O29/c1-72-31-11-22(12-32(73-2)41(31)61)5-9-39(59)76-19-36-43(63)46(66)49(69)53(82-36)78-21-38-45(65)48(68)51(71)55(84-38)81-35-18-26-28(57)16-25(17-30(26)80-52(35)24-7-8-27(56)29(58)15-24)79-54-50(70)47(67)44(64)37(83-54)20-77-40(60)10-6-23-13-33(74-3)42(62)34(14-23)75-4/h5-18,36-38,43-51,53-55,63-71H,19-21H2,1-4H3,(H4-,56,57,58,59,60,61,62)/p+1/t36-,37-,38-,43-,44-,45-,46+,47+,48+,49-,50-,51-,53-,54-,55-/m1/s1
SMILES COc1cc(C=CC(=O)OCC2OC(OCC3OC(Oc4cc5c(O)cc(OC6OC(COC(=O)C=Cc7cc(OC)c(O)c(OC)c7)C(O)C(O)C6O)cc5[o+]c4-c4ccc(O)c(O)c4)C(O)C(O)C3O)C(O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDioscoreaceaeDioscorea alata Ref.
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