input word = C00031613

Metabolite InformationStructural formula
Name Atriplicosaponin A
Formula C41H66O13
Mw 766.4503422
CAS RN 870467-23-5
C_ID C00031613 ,
InChIKey RROGHRHLBLVQSG-UIGRZWJYNA-N
InChICode InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)53-34-32(28(45)23(44)19-51-34)54-33-31(48)30(47)29(46)24(18-42)52-33/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)/t22-,23+,24+,25+,26+,27-,28-,29+,30-,31+,32+,33+,34-,37-,38-,39+,40+,41-/m0/s1
SMILES C1(CC[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]1OC[C@H]([C@@H]([C@H]1O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeZygophyllum atriplicoides Ref.
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OrganismZygophyllum atriplicoides
ReferenceAhmad,Chem.Pharm.Bull.,55,(2005),1126