input word = C00057673

Metabolite InformationStructural formula
Name Pescaprein VII
Formula C56H98O23
Mw 1138.64988944
CAS RN 943861-66-3
C_ID C00057673
InChIKey FRUKYYWENNHFFD-NGGINCOXSA-N
InChICode InChI=1S/C56H98O23/c1-8-10-12-13-15-19-24-28-36(58)75-51-50(79-53-44(66)41(63)38(60)30(4)69-53)47(76-52-43(65)40(62)37(59)29(3)68-52)33(7)72-56(51)77-46-32(6)71-54-45(67)48(46)74-35(57)27-23-20-17-14-16-18-22-26-34(25-21-11-9-2)73-55-49(78-54)42(64)39(61)31(5)70-55/h29-34,37-56,59-67H,8-28H2,1-7H3/t29-,30-,31+,32-,33-,34-,37-,38-,39-,40+,41+,42-,43+,44+,45+,46-,47-,48-,49+,50+,51+,52-,53-,54-,55-,56-/m0/s1
SMILES O=C1O[C@@]([C@@H](O[C@H]2[C@H](OC(CCCCCCCCC)=O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](C)O2)[C@H](C)O5)([H])[C@@H](O)[C@]5([H])O[C@@]6([H])[C@@](O[C@@H](CCCCC)CCCCCCCCC1)([H])O[C@H](C)[C@H](O)[C@@H]6O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea batatas Ref.
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