input word = C00049656

Metabolite InformationStructural formula
Name Maelaxin C
(-)-Maelaxin C
Formula C67H106O30
Mw 1390.67689205
CAS RN 230309-58-7
C_ID C00049656 ,
InChIKey DMEKIQJMBMEDLM-GGURKXJGNA-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 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)C7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H]6OC6O[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](OC(C)=O)[C@@]12CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMaesaceaeMaesa laxiflora Ref.
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