input word = C00064031

Metabolite InformationStructural formula
Name Scrokoelziside A
Formula C54H88O21
Mw 1072.58180988
CAS RN 173792-53-5
C_ID C00064031
InChIKey JKLKLUKULJPQOI-UHFFFAOYSA-N
InChICode InChI=1S/C54H88O21/c1-24-32(58)35(61)38(64)44(68-24)74-42-33(59)25(2)69-47(43(42)75-46-39(65)36(62)34(60)26(20-55)70-46)73-41-27(21-56)71-45(40(66)37(41)63)72-31-11-12-49(5)28(50(31,6)22-57)9-13-51(7)29(49)10-14-54-30-19-48(3,4)15-17-53(30,23-67-54)18-16-52(51,54)8/h10,14,24-47,55-66H,9,11-13,15-23H2,1-8H3
SMILES CC1OC(OC2C(O)C(C)OC(OC3C(CO)OC(OC4CCC5(C)C(CCC6(C)C5C=CC57OCC8(CCC(C)(C)CC85)CCC67C)C4(C)CO)C(O)C3O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia lepidota Ref.
PlantaeScrophulariaceaeScrophularia ningpoensis Ref.
PlantaeScrophulariaceaeScrophularia oxysepala Ref.
zoom in