input word = C00003501

Metabolite InformationStructural formula
Name Astrasieversianin XVI
Formula C47H78O18
Mw 930.51881569
CAS RN 101843-82-7
C_ID C00003501 ,
InChIKey OHYHOQFXLXSVIP-FHBPPJHINA-N
InChICode InChI=1S/C47H78O18/c1-20-28(51)31(54)33(56)38(60-20)64-35-29(52)22(50)18-59-40(35)63-26-10-12-47-19-46(47)14-13-43(6)36(45(8)11-9-27(65-45)42(4,5)58)21(49)16-44(43,7)25(46)15-23(37(47)41(26,2)3)61-39-34(57)32(55)30(53)24(17-48)62-39/h20-40,48-58H,9-19H2,1-8H3/t20-,21-,22+,23-,24+,25-,26-,27-,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,43+,44-,45+,46-,47+/m0/s1
SMILES CC1O[C@@H](OC2[C@H](O[C@H]3CC[C@]45C[C@]46CC[C@]4(C)[C@@H]([C@@]7(C)CC[C@@H](C(C)(C)O)O7)[C@@H](O)C[C@@]4(C)[C@@H]6C[C@H](O[C@@H]4OC(CO)[C@@H](O)C(O)C4O)[C@H]5C3(C)C)OC[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus sieversianus Ref.
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OrganismAstragalus sieversianus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter53