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=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCCCCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeThymelaeaceaeWikstroemia retusa Ref.
zoom in