input word = C00054377

Metabolite InformationStructural formula
Name Acutoside C
Formula C58H94O26
Mw 1206.60333318
CAS RN 135575-15-4
C_ID C00054377
InChIKey YPIXJXFNNXQYKL-UHFFFAOYSA-N
InChICode InChI=1S/C58H94O26/c1-23-44(81-47-41(71)34(64)26(61)21-75-47)40(70)43(73)48(77-23)82-45-35(65)27(62)22-76-50(45)84-52(74)58-16-15-56(7)24(25(58)17-53(2,3)32(63)18-58)9-10-31-55(6)13-12-33(54(4,5)30(55)11-14-57(31,56)8)80-51-46(39(69)37(67)29(20-60)79-51)83-49-42(72)38(68)36(66)28(19-59)78-49/h9,23,25-51,59-73H,10-22H2,1-8H3
SMILES CC1OC(OC2C(OC(=O)C34CCC5(C)C(=CCC6C7(C)CCC(OC8OC(CO)C(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC65C)C3CC(C)(C)C(O)C4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeLuffa acutangula Ref.
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