input word = C00042754

Metabolite InformationStructural formula
Name murucin 3
(-)-murucin 3
Formula C62H108O25
Mw 1252.717969
CAS RN 864182-51-4
C_ID C00042754 ,
InChIKey VYVWNWMQAZXCRE-FLKAOSSBNA-N
InChICode InChI=1S/C62H108O25/c1-8-11-13-14-15-16-19-22-26-31-41(65)82-55-49(73)53(85-62-57(48(72)51(35(5)76-62)81-40(64)28-10-3)86-58-47(71)45(69)44(68)39(33-63)80-58)36(6)77-60(55)84-52-37(7)78-61-56(50(52)74)83-42(66)32-27-23-20-17-18-21-25-30-38(29-24-12-9-2)79-59-54(87-61)46(70)43(67)34(4)75-59/h34-39,43-63,67-74H,8-33H2,1-7H3/t34-,35+,36+,37+,38+,39-,43-,44+,45+,46+,47-,48-,49-,50-,51+,52+,53+,54-,55-,56-,57-,58+,59+,60+,61+,62+/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)CCC)C)O)OC(=O)CCCCCCCCCCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvolvulaceaeIpomoea murucoides Ref.
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