input word = C00042756

Metabolite InformationStructural formula
Name murucin 5
(-)-murucin 5
Formula C63H110O26
Mw 1282.72853369
CAS RN 864182-53-6
C_ID C00042756 ,
InChIKey SENFYNXWLSWSPD-ZLEKBQHSNA-N
InChICode InChI=1S/C63H110O26/c1-9-11-13-14-15-16-19-22-26-30-41(66)83-55-49(74)53(87-63-57(88-59-47(72)45(70)44(69)40(32-64)82-59)48(73)51(36(6)78-63)85-58(76)33(3)34(4)65)37(7)79-61(55)86-52-38(8)80-62-56(50(52)75)84-42(67)31-27-23-20-17-18-21-25-29-39(28-24-12-10-2)81-60-54(89-62)46(71)43(68)35(5)77-60/h33-40,43-57,59-65,68-75H,9-32H2,1-8H3/t33-,34-,35-,36+,37+,38+,39+,40-,43-,44+,45+,46+,47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,59+,60+,61+,62+,63+/m1/s1
SMILES C1CCCCCCCC(=O)O[C@H]2[C@H](O[C@H]3[C@H](O[C@H](C1)CCCCC)O[C@@H]([C@H]([C@@H]3O)O)C)O[C@H]([C@@H]([C@H]2O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)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)OC(=O)[C@@H]([C@@H](C)O)C)C)O)OC(=O)CCCCCCCCCCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea murucoides Ref.
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OrganismIpomoea murucoides
ReferenceLeon,J.Nat.Prod.,68,(2005),1141