input word = C00039206

Metabolite InformationStructural formula
Name Ferotocotrimer C
(-)-Ferotocotrimer C
Formula C86H142O6
Mw 1271.08064226
CAS RN 946130-18-3
C_ID C00039206 ,
InChIKey XGVMASJYFHMXGH-YQMZRJKINA-N
InChICode InChI=1S/C86H142O6/c1-57(2)31-22-34-60(7)37-25-40-63(10)43-28-48-81(19)51-46-72-74-55-84-54-53-83(21,50-30-45-65(12)42-27-39-62(9)36-24-33-59(5)6)92-86(84,91-79(74)69(16)67(14)76(72)88-81)71(18)70(17)80(87)85(84)56-75-73-47-52-82(20,89-77(73)66(13)68(15)78(75)90-85)49-29-44-64(11)41-26-38-61(8)35-23-32-58(3)4/h57-65H,22-56H2,1-21H3/t60-,61-,62-,63-,64-,65-,81-,82-,83-,84+,85+,86+/m1/s1
SMILES [C@@]1(CCC[C@@H](CCC[C@H](C)CCCC(C)C)C)(O[C@@]23[C@@](Cc4c5c(c(c(c4O2)C)C)O[C@@](CC5)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)([C@@]2(C(=O)C(=C3C)C)Cc3c(O2)c(c(c2c3CC[C@@](O2)(C)CCC[C@H](C)CCC[C@@H](CCCC(C)C)C)C)C)CC1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeEuryale ferox Ref.
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OrganismEuryale ferox
ReferenceRow,J.Nat.Prod.,70,(2007),1214