input word = C00039636

Metabolite InformationStructural formula
Name Lobatoside J
Formula C70H110O36
Mw 1526.67767991
CAS RN 143519-42-0
C_ID C00039636 ,
InChIKey FGRRBJSRJCVDKZ-UHFFFAOYNA-N
InChICode InChI=1S/C70H110O36/c1-25-36(76)42(82)54(105-61-49(89)52(102-59-46(86)40(80)38(78)31(20-71)97-59)50(26(2)96-61)100-58-48(88)51(30(75)23-94-58)101-57-45(85)37(77)29(74)22-93-57)62(95-25)106-64(92)70-17-15-65(3,4)19-28(70)27-9-10-34-66(5)13-12-35(67(6,24-73)33(66)11-14-69(34,8)68(27,7)16-18-70)99-63-55(44(84)43(83)53(103-63)56(90)91)104-60-47(87)41(81)39(79)32(21-72)98-60/h9,24-26,28-55,57-63,71-72,74-89H,10-23H2,1-8H3,(H,90,91)/t25-,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(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeActinostemma lobatum Ref.
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OrganismActinostemma lobatum
ReferenceTan,Phytochem.,52,(1999),153