input word = C00057340

Metabolite InformationStructural formula
Name Phaseoloside E
Formula C77H124O41
Mw 1704.76180347
CAS RN 30915-09-4
C_ID C00057340
InChIKey NTNPOWCMLRDLKM-UHFFFAOYSA-N
InChICode InChI=1S/C77H124O41/c1-27-39(84)43(88)49(94)64(105-27)104-25-35-42(87)45(90)62(118-68-52(97)47(92)57(33(22-80)108-68)113-66-51(96)46(91)56(32(21-79)107-66)112-65-50(95)44(89)41(86)31(20-78)106-65)71(110-35)114-58-34(23-81)109-67(53(98)48(58)93)117-61-40(85)30(83)24-103-70(61)115-59-54(99)60(63(101)102)116-69(55(59)100)111-38-12-13-74(5)36(75(38,6)26-82)11-14-77(8)37(74)10-9-28-29-19-72(2,3)15-16-73(29,4)17-18-76(28,77)7/h9,17-18,27,29-62,64-71,78-100H,10-16,19-26H2,1-8H3,(H,101,102)
SMILES CC1OC(OCC2OC(OC3C(CO)OC(OC4C(OC5C(O)C(OC6CCC7(C)C(CCC8(C)C7CC=C7C9CC(C)(C)CCC9(C)C=CC78C)C6(C)CO)OC(C(=O)O)C5O)OCC(O)C4O)C(O)C3O)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus vulgaris Ref.
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