input word = C00057896

Metabolite InformationStructural formula
Name YGM 1B
Formula C51H53O27+
Mw 1097.27742149
CAS RN 145815-05-0
C_ID C00057896
InChIKey WYTDCXSVMFVVAY-RPCOPJSUSA-O
InChICode InChI=1S/C51H54O27/c52-17-34-39(62)42(65)45(68)49(75-34)73-32-15-23(53)14-31-24(32)16-33(47(72-31)22-5-8-27(56)30(59)13-22)74-51-48(44(67)41(64)36(77-51)19-71-38(61)10-4-21-2-7-26(55)29(58)12-21)78-50-46(69)43(66)40(63)35(76-50)18-70-37(60)9-3-20-1-6-25(54)28(57)11-20/h1-2,4-8,10-16,34-36,39-46,48-52,62-69H,3,9,17-19H2,(H6-,53,54,55,56,57,58,59,61)/p+1/t34-,35-,36-,39-,40-,41-,42+,43+,44+,45-,46-,48-,49-,50+,51-/m1/s1
SMILES O[C@H]1[C@H](O)[C@@H](COC(/C=C/C2=CC(O)=C(O)C=C2)=O)O[C@@H](OC3=C(C4=CC=C(O)C(O)=C4)[O+]=C(C=C(O)C=C5O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)C5=C3)[C@@H]1O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(CCC8=CC=C(O)C(O)=C8)=O)O7
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
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OrganismIpomoea batatas
ReferenceHarborne, J.B.Phytochemistry, 1963, 2, 85-97

1964, 3, 151-160

1964, 453-463 (struct, glycosides)