input word = C00057928

Metabolite InformationStructural formula
Name Solidagosaponin XXIV
Formula C72H116O35
Mw 1540.72971548
CAS RN 156250-52-1
C_ID C00057928
InChIKey MHEMEVIAVMIKHH-UHFFFAOYSA-N
InChICode InChI=1S/C72H116O35/c1-27(75)18-41(80)96-28(2)19-42(81)101-55-31(5)99-65(58(51(55)90)105-63-50(89)47(86)54(30(4)98-63)102-61-52(91)56(36(78)25-95-61)103-62-49(88)46(85)43(82)29(3)97-62)107-66(93)72-17-16-67(6,7)20-33(72)32-12-13-39-68(8)21-34(76)59(69(9,26-74)38(68)14-15-70(39,10)71(32,11)22-40(72)79)106-64-53(92)57(45(84)37(23-73)100-64)104-60-48(87)44(83)35(77)24-94-60/h12,27-31,33-40,43-65,73-79,82-92H,13-26H2,1-11H3
SMILES CC(O)CC(=O)OC(C)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)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)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virga-aurea Ref.
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