input word = C00049657

Metabolite InformationStructural formula
Name Maelaxin D
(-)-Maelaxin D
Formula C67H106O30
Mw 1390.67689205
CAS RN 230309-59-8
C_ID C00049657 ,
InChIKey DMEKIQJMBMEDLM-RFEVZJSGNA-N
InChICode InChI=1S/C67H106O30/c1-13-26(2)56(85)91-37-21-62(6,7)20-31-30-14-15-35-64(10)18-17-36(63(8,9)34(64)16-19-65(35,11)66(30,12)22-38(88-29(5)71)67(31,37)25-70)92-61-54(97-58-48(81)44(77)41(74)32(23-68)89-58)50(49(82)51(94-61)55(83)84)93-60-53(46(79)42(75)33(24-69)90-60)96-59-52(45(78)40(73)28(4)87-59)95-57-47(80)43(76)39(72)27(3)86-57/h13-14,27-28,31-54,57-61,68-70,72-82H,15-25H2,1-12H3,(H,83,84)/b26-13-/t27-,28-,31-,32+,33+,34-,35+,36-,37-,38+,39-,40-,41+,42-,43+,44-,45+,46-,47+,48+,49-,50-,51-,52-,53+,54+,57-,58+,59-,60-,61+,64-,65+,66+,67-/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)OC(=O)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMaesaceaeMaesa laxiflora Ref.
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