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 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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)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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OrganismMaesa tenera
ReferenceKOIKE, et al., Chem Pharm Bull, 49, (2001), 758