input word = C00032249

Metabolite InformationStructural formula
Name Subproside V
GM-13
Formula C54H88O24
Mw 1120.56655374
CAS RN 148077-22-9
C_ID C00032249 ,
InChIKey IXHXAYXWWMQCOR-UHFFFAOYNA-N
InChICode InChI=1S/C54H88O24/c1-22-31(59)34(62)40(68)46(72-22)77-42-36(64)33(61)26(19-56)74-47(42)78-43-38(66)37(65)41(44(69)70)76-48(43)75-30-11-12-51(4)27(52(30,5)20-57)10-13-54(7)28(51)9-8-23-24-16-49(2,17-29(58)50(24,3)14-15-53(23,54)6)21-71-45-39(67)35(63)32(60)25(18-55)73-45/h8,22,24-43,45-48,55-68H,9-21H2,1-7H3,(H,69,70)/t22-,24-,25-,26+,27-,28+,29-,30-,31-,32+,33+,34+,35+,36-,37+,38-,39-,40-,41+,42+,43+,45-,46+,47-,48+,49-,50-,51-,52-,53+,54+/m0/s1
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)CO)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
PlantaeFabaceaeGueldenstaedtia multiflora Ref.
PlantaeFabaceaeSophora subprostrata Ref.
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