input word = C00039666

Metabolite InformationStructural formula
Name Luperoside K
Formula C70H110O36
Mw 1526.67767991
CAS RN 124792-11-6
C_ID C00039666 ,
InChIKey CVTCXZFLADPFGM-UHFFFAOYNA-N
InChICode InChI=1S/C70H110O36/c1-24-36(76)41(81)46(86)59(95-24)102-51-37(77)25(2)96-62(54(51)104-60-48(88)43(83)50(26(3)97-60)100-57-44(84)38(78)29(73)21-93-57)106-64(92)70-17-16-65(4,5)18-28(70)27-10-11-33-66(6)14-13-35(67(7,23-72)32(66)12-15-68(33,8)69(27,9)19-34(70)75)99-63-55(105-61-47(87)42(82)40(80)31(20-71)98-61)52(49(89)53(103-63)56(90)91)101-58-45(85)39(79)30(74)22-94-58/h10,23-26,28-55,57-63,71,73-89H,11-22H2,1-9H3,(H,90,91)/t24-,25+,26-,28-,29+,30+,31+,32+,33+,34-,35+,36+,37+,38+,39-,40+,41+,42-,43+,44+,45-,46+,47+,48-,49+,50-,51+,52-,53+,54-,55+,57-,58+,59-,60+,61-,62-,63+,66+,67+,68-,69+,70+/m0/s1
SMILES CC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeLuffa operculata Ref.
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