input word = C00042841

Metabolite InformationStructural formula
Name Pescaprein VI
(-)-Pescaprein VI
Formula C57H100O20
Mw 1104.68079564
CAS RN 943861-64-1
C_ID C00042841 ,
InChIKey DRHGBIWTDGSGGH-QRHJURGSNA-N
InChICode InChI=1S/C57H100O20/c1-9-12-14-15-16-17-20-23-28-32-40(59)73-51-43(62)41(60)35(6)68-57(51)76-48-37(8)69-54(46(65)50(48)74-53(66)33(4)11-3)75-47-36(7)70-55-45(64)49(47)72-39(58)31-27-24-21-18-19-22-26-30-38(29-25-13-10-2)71-56-52(77-55)44(63)42(61)34(5)67-56/h33-38,41-52,54-57,60-65H,9-32H2,1-8H3/t33-,34+,35-,36-,37-,38-,41+,42-,43+,44-,45-,46+,47-,48-,49-,50-,51+,52+,54-,55+,56-,57-/m0/s1
SMILES [C@@H]12[C@H](O[C@H](CCCCCCCCCC(=O)O[C@H]3[C@@H]([C@@H](O1)O[C@H]([C@@H]3O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)OC(=O)[C@H](CC)C)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)C)O)O)OC(=O)CCCCCCCCCCC)C)C)O)CCCCC)O[C@@H]([C@@H]([C@@H]2O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea pes-caprae Ref.
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