input word = C00033176

Metabolite InformationStructural formula
Name Marstomentoside N
(+)-Marstomentoside N
Formula C55H90O22
Mw 1102.59237456
CAS RN 238398-92-0
C_ID C00033176 ,
InChIKey MIJCYCOUPCOVEN-LQLNGSLSNA-N
InChICode InChI=1S/C55H90O22/c1-13-26(2)49(61)71-30(6)53(62)18-19-55(64)52(53,9)39(72-31(7)57)24-38-51(8)16-15-33(20-32(51)14-17-54(38,55)63)73-40-21-34(65-10)46(27(3)68-40)75-41-22-35(66-11)47(28(4)69-41)76-42-23-36(67-12)48(29(5)70-42)77-50-45(60)44(59)43(58)37(25-56)74-50/h13,27-30,32-48,50,56,58-60,62-64H,14-25H2,1-12H3/b26-13+/t27-,28-,29-,30-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,48-,50+,51+,52-,53-,54+,55-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@@]2([C@]([C@@H](C1)OC(=O)C)([C@](CC2)(O)[C@@H](C)OC(=O)/C(=C/C)/C)C)O)O)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia tomentosa Ref.
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OrganismMarsdenia tomentosa
ReferenceAbe,Chem.Pharm.Bull.,48,(2000),154