input word = C00055479

Metabolite InformationStructural formula
Name Chromosaponin I
Formula C54H84O21
Mw 1068.55050975
CAS RN 143519-54-4
C_ID C00055479
InChIKey ONAAMCDHQSWPDU-BKUHCKHBSA-N
InChICode InChI=1S/C54H84O21/c1-23-34(58)27(57)18-33(68-23)71-32-20-49(3,4)19-26-25-10-11-30-51(6)14-13-31(52(7,22-56)29(51)12-15-54(30,9)53(25,8)17-16-50(26,32)5)72-48-44(40(64)39(63)42(73-48)45(66)67)75-47-43(38(62)36(60)28(21-55)70-47)74-46-41(65)37(61)35(59)24(2)69-46/h10,24,26,28-33,35-44,46-48,55-56,58-65H,11-22H2,1-9H3,(H,66,67)/t24-,26-,28+,29+,30+,31-,32+,33-,35-,36-,37+,38-,39-,40-,41+,42-,43+,44+,46-,47-,48+,50+,51-,52+,53+,54+/m0/s1
SMILES C[C@]12CC[C@H](O[C@H]3[C@H](O[C@H](O[C@H](CO)[C@H](O)[C@@H]4O)[C@@H]4O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O3)[C@@]([C@]1([H])CC[C@@]6(C)[C@@](C7=CC[C@]26[H])(CC[C@]8(C)[C@@]7([H])CC(C[C@H]8O[C@H]9CC(C(O)=C(C)O9)=O)(C)C)C)(CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePhaseolus coccineus Ref.
PlantaeFabaceaePisum sativum Ref.
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