input word = C00063652

Metabolite InformationStructural formula
Name Sitoindoside VII
Formula C50H86O7
Mw 798.6373551
CAS RN 111509-27-4
C_ID C00063652
InChIKey QNZIGDVPDMJIIG-JEDNGXQRSA-N
InChICode InChI=1S/C50H86O7/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-44(51)55-33-43-45(52)46(53)47(54)48(57-43)56-38-28-30-49(6)37(32-38)24-25-39-41-27-26-40(50(41,7)31-29-42(39)49)36(5)23-22-35(4)34(2)3/h24,36,38-43,45-48,52-54H,8-23,25-33H2,1-7H3/t36-,38+,39+,40-,41+,42+,43-,45-,46+,47-,48-,49+,50-/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(C)=C(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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