input word = C00058745

Metabolite InformationStructural formula
Name Subproside IV
Formula C54H88O23
Mw 1104.57163912
CAS RN 148077-21-8
C_ID C00058745
InChIKey OWWLEXRVIUKGSS-UHFFFAOYSA-N
InChICode InChI=1S/C54H88O23/c1-22-31(58)34(61)40(67)46(71-22)76-42-36(63)33(60)26(20-56)73-47(42)77-43-38(65)37(64)41(44(68)69)75-48(43)74-30-12-13-52(6)27(49(30,2)3)11-14-54(8)28(52)10-9-23-24-17-50(4,18-29(57)51(24,5)15-16-53(23,54)7)21-70-45-39(66)35(62)32(59)25(19-55)72-45/h9,22,24-43,45-48,55-67H,10-21H2,1-8H3,(H,68,69)
SMILES CC1OC(OC2C(OC3C(OC4CCC5(C)C(CCC6(C)C5CC=C5C7CC(C)(COC8OC(CO)C(O)C(O)C8O)CC(O)C7(C)CCC56C)C4(C)C)OC(C(=O)O)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSophora subprostrata Ref.
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