input word = C00039965

Metabolite InformationStructural formula
Name Pescaprein XIV
(-)-Pescaprein XIV
Formula C71H114O25
Mw 1366.76491919
CAS RN 1100362-80-8
C_ID C00039965 ,
InChIKey GEIFMZOIUWDOQZ-WNVKWWNDNA-N
InChICode InChI=1S/C71H114O25/c1-10-12-14-15-16-17-20-23-31-37-49(73)91-65-64(96-67-55(79)53(77)51(75)41(5)83-67)60(93-68-56(80)61(58(43(7)85-68)92-66(82)40(3)4)90-50(74)39-38-46-32-27-25-28-33-46)45(9)87-71(65)94-59-44(8)86-69-57(81)62(59)89-48(72)36-30-24-21-18-19-22-29-35-47(34-26-13-11-2)88-70-63(95-69)54(78)52(76)42(6)84-70/h25,27-28,32-33,38-45,47,51-65,67-71,75-81H,10-24,26,29-31,34-37H2,1-9H3/b39-38+/t41-,42+,43-,44-,45-,47-,51-,52-,53+,54-,55+,56+,57-,58-,59-,60-,61-,62-,63+,64+,65+,67+,68-,69-,70-,71-/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]1OC(=O)CCCCCCCCCCC)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)OC(=O)C(C)C)OC(=O)/C=C/c1ccccc1)O)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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