input word = C00031550

Metabolite InformationStructural formula
Name 2-O-Methylneovibsanin I
(+)-2-O-Methylneovibsanin I
Formula C26H38O5
Mw 430.27192432
CAS RN 853322-92-6
C_ID C00031550 ,
InChIKey OKVYNVXFESMJAD-MPILUETANA-N
InChICode InChI=1S/C26H38O5/c1-17(2)9-8-11-26(6)15-23(29-7)20-16-31-22(14-19(5)27)25(20)21(26)10-12-30-24(28)13-18(3)4/h9-10,12-13,21-23H,8,11,14-16H2,1-7H3/b12-10+/t21-,22-,23+,26-/m0/s1
SMILES [C@@]1(C[C@H](C2=C([C@@H]1/C=C/OC(=O)C=C(C)C)[C@@H](OC2)CC(=O)C)OC)(C)CCC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum awabuki Ref.
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