input word = C00057192

Metabolite InformationStructural formula
Name Pitheduloside F
Formula C52H84O21
Mw 1044.55050975
CAS RN 189161-87-3
C_ID C00057192
InChIKey KFZSKNXELYGVEA-IKDIIPBYSA-N
InChICode InChI=1S/C52H84O21/c1-47(2)14-16-52(46(64)65)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)71-45-41(73-43-39(63)36(60)34(58)27(19-53)69-43)37(61)35(59)28(70-45)22-68-44-40(33(57)26(55)21-67-44)72-42-38(62)32(56)25(54)20-66-42/h8,24-45,53-63H,9-22H2,1-7H3,(H,64,65)/t24-,25-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52-/m0/s1
SMILES CC1(C)CC[C@@]2(C(O)=O)[C@@](C3=CC[C@@]([C@](CC[C@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)O4)C8(C)C)(C)[C@@]8([H])CC9)([H])[C@]9(C)[C@]3(C)CC2)([H])C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePithecellobium dulce Ref.
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