input word = C00040551

Metabolite InformationStructural formula
Name Trichoside A
Formula C48H74O20
Mw 970.47734481
CAS RN 33289-66-6
C_ID C00040551 ,
InChIKey BGLYCORFWPWMPL-UHFFFAOYNA-N
InChICode InChI=1S/C48H74O20/c1-43(2)13-15-48(42(62)68-40-33(57)31(55)29(53)24(19-50)64-40)16-14-46(5)21(22(48)17-43)7-8-26-44(3)11-10-27(45(4,20-51)25(44)9-12-47(26,46)6)65-41-35(59)36(34(58)37(67-41)38(60)61)66-39-32(56)30(54)28(52)23(18-49)63-39/h7,20,22-37,39-41,49-50,52-59H,8-19H2,1-6H3,(H,60,61)/t22-,23+,24-,25+,26+,27+,28+,29-,30-,31-,32+,33+,34-,35+,36-,37-,39+,40-,41+,44+,45-,46+,47-,48-/m1/s1
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C=O)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila trichotoma Ref.
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