input word = C00033169

Metabolite InformationStructural formula
Name Marstomentoside G
(+)-Marstomentoside G
Formula C71H110O27
Mw 1394.72344831
CAS RN 238398-75-9
C_ID C00033169 ,
InChIKey RETDKJVOLCMAPD-VMRRHUMMNA-N
InChICode InChI=1S/C71H110O27/c1-35-61(44(81-9)28-53(86-35)91-43-22-23-67(7)42(27-43)21-24-70(79)50(67)33-51(93-52(74)20-19-41-17-15-14-16-18-41)68(8)69(78,40(6)73)25-26-71(68,70)80)94-54-29-45(82-10)62(36(2)87-54)95-55-30-46(83-11)63(37(3)88-55)96-56-31-47(84-12)64(38(4)89-56)97-57-32-48(85-13)65(39(5)90-57)98-66-60(77)59(76)58(75)49(34-72)92-66/h14-21,35-40,43-51,53-66,72-73,75-80H,22-34H2,1-13H3/b20-19+/t35-,36-,37-,38-,39-,40+,43+,44+,45+,46-,47-,48-,49-,50-,51-,53+,54+,55+,56+,57+,58+,59+,60-,61-,62-,63-,64-,65-,66+,67+,68-,69-,70+,71-/m1/s1
SMILES C1[C@@H](CC2=CC[C@@]3([C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@]1(O)[C@@H](O)C)O)C)OC(=O)/C=C/c1ccccc1)O)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]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)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