input word = C00063651

Metabolite InformationStructural formula
Name Sitoindoside VIII
Formula C50H86O8
Mw 814.63226972
CAS RN 111509-26-3
C_ID C00063651
InChIKey KVVWVJJBWONFDU-UKPGAFKDSA-N
InChICode InChI=1S/C50H86O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(51)55-33-41-43(52)44(53)45(54)46(57-41)56-36-27-29-48(5)35(32-36)22-23-37-39-25-24-38(49(39,6)30-28-40(37)48)34(2)26-31-50(7)47(3,4)58-50/h22,34,36-41,43-46,52-54H,8-21,23-33H2,1-7H3/t34-,36+,37+,38-,39+,40+,41-,43-,44+,45-,46-,48+,49-,50?/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC5(C)OC5(C)C)CCC43)C2)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeWithania somnifera Ref.
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