input word = C00049028

Metabolite InformationStructural formula
Name Wikstroelide B
(+)-Wikstroelide B
Formula C37H52O10
Mw 656.35604788
CAS RN 147087-78-3
C_ID C00049028 ,
InChIKey IRCRDEQDVIBZMS-MZGPRIJBNA-N
InChICode InChI=1S/C37H52O10/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-34-45-31-27-30-33(21-38,44-30)32(41)35(42)26(20-23(4)28(35)40)37(27,47-34)24(5)29(43-25(6)39)36(31,46-34)22(2)3/h16-20,24,26-27,29-32,38,41-42H,2,7-15,21H2,1,3-6H3/b17-16+,19-18+/t24-,26-,27+,29-,30+,31-,32-,33+,34-,35-,36+,37+/m1/s1
SMILES [C@]12(O[C@@H]3[C@H]4[C@@]([C@H]5[C@]([C@@H]([C@@]6([C@H]4O6)CO)O)(C(=O)C(=C5)C)O)([C@@H]([C@H]([C@@]3(O1)C(=C)C)OC(=O)C)C)O2)/C=C/C=C/CCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeWikstroemia retusa Ref.
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