input word = C00032316

Metabolite InformationStructural formula
Name Thalictoside D
(-)-Thalictoside D
Formula C60H100O28
Mw 1268.64011261
CAS RN 214284-46-5
C_ID C00032316 ,
InChIKey PCPGEMNFEQYJGS-URHXOKHCNA-N
InChICode InChI=1S/C60H100O28/c1-22-34(64)40(70)45(75)50(80-22)79-19-29-39(69)44(74)49(87-51-46(76)41(71)35(65)23(2)81-51)54(85-29)86-32-11-13-59-20-60(59)15-14-57(6)24(10-12-58(57,7)31(60)9-8-30(59)56(32,5)21-63)33-26(16-25(36(33)66)55(3,4)78)82-53-48(43(73)38(68)28(18-62)84-53)88-52-47(77)42(72)37(67)27(17-61)83-52/h22-54,61-78H,8-21H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,47+,48+,49+,50+,51-,52-,53+,54-,56+,57+,58-,59+,60-/m0/s1
SMILES C1[C@@H]([C@]([C@H]2[C@]3(C1)[C@]1([C@@H](CC2)[C@]2([C@](CC1)([C@H](CC2)[C@H]1[C@H](C[C@H]([C@@H]1O)C(C)(O)C)O[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)CO)C)C)C3)(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)C)O)O)O)O)O)CO[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum thunbergii Ref.
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