input word = C00033932

Metabolite InformationStructural formula
Name Hydrocotyloside VII
Formula C57H92O26
Mw 1192.58768311
CAS RN 677330-19-7
C_ID C00033932 ,
InChIKey QKJMUPGGYODJHI-ZIEOPZQCNA-N
InChICode InChI=1S/C57H92O26/c1-23(61)76-46-47(77-24(2)62)57(22-60)26(16-52(46,3)4)25-10-11-32-54(7)14-13-34(53(5,6)31(54)12-15-55(32,8)56(25,9)17-33(57)64)81-51-45(83-50-42(72)39(69)37(67)29(19-59)79-50)43(73)44(82-49-41(71)38(68)36(66)28(18-58)78-49)30(80-51)21-75-48-40(70)35(65)27(63)20-74-48/h10,26-51,58-60,63-73H,11-22H2,1-9H3/t26-,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+,54+,55-,56-,57+/m1/s1
SMILES C1([C@H]([C@@H]([C@]2([C@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)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)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CO[C@@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O)C)C)CO)OC(=O)C)OC(=O)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHydrocotyle sibthorpioides Ref.
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OrganismHydrocotyle sibthorpioides
ReferenceHuang,Phytochem.,69,(2008),1597