input word = C00060974

Metabolite InformationStructural formula
Name Mukuroziosides Ie
Formula C39H68O20
Mw 856.43039462
CAS RN 2361040-98-2
C_ID C00060974
InChIKey UGTQNOIBDJIKLY-ZNGJJILDSA-N
InChICode InChI=1S/C39H68O20/c1-17(9-7-11-19(3)16-53-39-35(31(49)27(45)23(15-41)57-39)59-37-33(51)29(47)25(43)21(5)55-37)8-6-10-18(2)12-13-52-38-34(30(48)26(44)22(14-40)56-38)58-36-32(50)28(46)24(42)20(4)54-36/h8,12,19-51H,6-7,9-11,13-16H2,1-5H3/b17-8+,18-12+/t19?,20-,21-,22+,23+,24-,25-,26+,27+,28+,29+,30-,31-,32+,33+,34+,35+,36-,37-,38+,39+/m0/s1
SMILES CC(=CCOC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(C)CCCC(C)COC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
zoom in