input word = C00045674

Metabolite InformationStructural formula
Name Atratoglaucoside A
Formula C35H52O12
Mw 664.34587713
CAS RN 346616-65-7
C_ID C00045674 ,
InChIKey FMBUMRDTMFABLR-AJYUZISRNA-N
InChICode InChI=1S/C35H52O12/c1-17-28(36)24(39-5)14-26(43-17)47-30-18(2)44-33(29(37)31(30)40-6)45-21-11-12-34(3)20(13-21)8-9-22-23(34)10-7-19-15-41-35(4)27(19)25(16-42-35)46-32(22)38/h8,15,17-18,21-31,33,36-37H,7,9-14,16H2,1-6H3/t17-,18+,21-,22+,23-,24-,25+,26-,27+,28+,29+,30+,31+,33-,34-,35-/m0/s1
SMILES [C@H]1(O[C@H](C[C@@H]([C@@H]1O)OC)O[C@@H]1[C@@H](C)O[C@H]([C@@H]([C@H]1OC)O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CCC2=CO[C@@]4([C@H]2[C@H](OC3=O)CO4)C)C1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum atratum Ref.
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