input word = C00047604

Metabolite InformationStructural formula
Name Tubiferolide methyl ester
(+)-Tubiferolide methyl ester
Formula C31H46O4
Mw 482.33960996
CAS RN 678188-35-7
C_ID C00047604 ,
InChIKey CLKPXYYJFFVZSE-OKUJEPNKNA-N
InChICode InChI=1S/C31H46O4/c1-19(2)9-8-10-20(3)22-11-13-29(6)24-17-23-26(21(4)27(33)35-23)31(14-12-25(32)34-7)18-30(24,31)16-15-28(22,29)5/h9,20,22-24,26H,4,8,10-18H2,1-3,5-7H3/t20-,22-,23-,24+,26-,28-,29+,30+,31-/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H](CC4)[C@@H](CCC=C(C)C)C)C)C)C[C@@H]1[C@H]([C@]2(C3)CCC(=O)OC)C(=C)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGardenia sootepensis Ref.
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