input word = C00057932

Metabolite InformationStructural formula
Name Solidagosaponin XXIX
Formula C72H116O37
Mw 1572.71954473
CAS RN 156250-56-5
C_ID C00057932
InChIKey FDOGDTZSXKADSA-UHFFFAOYSA-N
InChICode InChI=1S/C72H116O37/c1-26-39(81)41(83)45(87)59(97-26)104-52-33(79)22-95-58(49(52)91)103-50-27(2)98-60(47(89)43(50)85)107-55-54(106-64-56(92)71(94,24-76)25-96-64)51(100-29(4)77)28(3)99-63(55)109-65(93)72-16-15-66(5,6)17-31(72)30-11-12-37-67(7)18-32(78)57(68(8,23-75)36(67)13-14-69(37,9)70(30,10)19-38(72)80)108-62-48(90)44(86)53(35(21-74)102-62)105-61-46(88)42(84)40(82)34(20-73)101-61/h11,26-28,31-64,73-76,78-92,94H,12-25H2,1-10H3
SMILES CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C1OC1OCC(O)(CO)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virga-aurea Ref.
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