input word = C00039207

Metabolite InformationStructural formula
Name Ferotocotrimer D
Formula C86H142O6
Mw 1271.08064226
CAS RN 946130-20-7
C_ID C00039207 ,
InChIKey XGVMASJYFHMXGH-BAQAUZGGNA-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 CC1=C(C)[C@]23Oc4c(C)c(C)c5c(c4C[C@]2(CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O3)[C@@]2(Cc3c4c(c(C)c(C)c3O2)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC4)C1=O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeEuryale ferox Ref.
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