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 C/C=C(/C)C(=O)O[C@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]12CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMaesaceaeMaesa tenera Ref.
PlantaeMaesaceaeMaesa tenra Ref.
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OrganismMaesa tenera
ReferenceKOIKE, et al., Chem Pharm Bull, 49, (2001), 758