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 [C@]1(C[C@@H]([C@@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@H]1[C@@]3(CC[C@@H]([C@@]1(C)CO)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)O)C(=O)O)C)C)C)O)(C)CO[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGueldenstaedtia multiflora Ref.
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