input word = C00033149

Metabolite InformationStructural formula
Name Maetenoside A
(-)-Maetenoside A
Formula C65H104O30
Mw 1364.66124199
CAS RN 354542-95-3
C_ID C00033149 ,
InChIKey QGVPVTDQNDRBNJ-WCTHMLDSNA-N
InChICode InChI=1S/C65H104O30/c1-11-25(2)54(84)89-36-20-60(4,5)18-28-27-12-13-33-62(8)16-15-35(61(6,7)32(62)14-17-63(33,9)64(27,10)19-34(70)65(28,36)24-69)90-59-52(95-56-46(80)42(76)39(73)30(22-67)87-56)48(47(81)49(92-59)53(82)83)91-58-51(44(78)40(74)31(23-68)88-58)94-57-50(43(77)37(71)26(3)85-57)93-55-45(79)41(75)38(72)29(21-66)86-55/h11-12,26,28-52,55-59,66-81H,13-24H2,1-10H3,(H,82,83)/b25-11-/t26-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43+,44-,45+,46+,47-,48-,49-,50+,51+,52+,55-,56-,57-,58-,59+,62-,63+,64+,65-/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]7O[C@H](CO)[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.
zoom in



OrganismMaesa tenera
ReferenceKOIKE, et al., Chem Pharm Bull, 49, (2001), 758