input word = C00049654

Metabolite InformationStructural formula
Name Maelaxin A
(-)-Maelaxin A
Formula C65H104O29
Mw 1348.66632736
CAS RN 230309-49-6
C_ID C00049654 ,
InChIKey UQBYDYIYFPALPT-GQPIKYPVNA-N
InChICode InChI=1S/C65H104O29/c1-12-25(2)54(83)88-36-21-60(5,6)19-29-28-13-14-33-62(9)17-16-35(61(7,8)32(62)15-18-63(33,10)64(28,11)20-34(69)65(29,36)24-68)89-59-52(94-56-46(79)42(75)39(72)30(22-66)86-56)48(47(80)49(91-59)53(81)82)90-58-51(44(77)40(73)31(23-67)87-58)93-57-50(43(76)38(71)27(4)85-57)92-55-45(78)41(74)37(70)26(3)84-55/h12-13,26-27,29-52,55-59,66-80H,14-24H2,1-11H3,(H,81,82)/b25-12-/t26-,27-,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]2[C@]([C@H](CC1(C)C)OC(=O)/C(=C\C)/C)([C@@H](C[C@@]1(C2=CC[C@H]2[C@]1(CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)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)C)O)O)CO)O)C(=O)O)C)C)C)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMaesaceaeMaesa laxiflora Ref.
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