input word = C00033150

Metabolite InformationStructural formula
Name Maetenoside B
(-)-Maetenoside B
Formula C59H94O25
Mw 1202.60841856
CAS RN 354527-10-9
C_ID C00033150 ,
InChIKey GKKTUPILOBPVDV-HFGIYLEGNA-N
InChICode InChI=1S/C59H94O25/c1-11-24(2)49(75)79-34-20-54(4,5)18-27-26-12-13-31-56(8)16-15-33(55(6,7)30(56)14-17-57(31,9)58(26,10)19-32(63)59(27,34)23-62)80-53-47(84-51-42(71)39(68)36(65)28(21-60)77-51)44(43(72)45(82-53)48(73)74)81-52-46(40(69)37(66)29(22-61)78-52)83-50-41(70)38(67)35(64)25(3)76-50/h11-12,25,27-47,50-53,60-72H,13-23H2,1-10H3,(H,73,74)/b24-11-/t25-,27-,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-,45-,46+,47+,50-,51-,52-,53+,56-,57+,58+,59-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@]([C@@H](C2)O)([C@H](CC(C1)(C)C)OC(=O)/C(=C\C)/C)CO)C)C)C)(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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)CO)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMaesaceaeMaesa tenera Ref.
PlantaeMaesaceaeMaesa tenra Ref.
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