input word = C00049033

Metabolite InformationStructural formula
Name Wikstroelide I
(+)-Wikstroelide I
Formula C53H82O11
Mw 894.58571346
CAS RN 206193-10-4
C_ID C00049033 ,
InChIKey YTPXZROKHIYLNT-LHAINCPONA-N
InChICode InChI=1S/C53H82O11/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-42(55)59-36-49-46(61-49)43-47-52(37(3)4)45(60-40(7)54)39(6)53(43,41-35-38(5)44(56)51(41,58)48(49)57)64-50(62-47,63-52)34-32-30-28-26-24-21-19-17-15-13-11-9-2/h28,30,32,34-35,39,41,43,45-48,57-58H,3,8-27,29,31,33,36H2,1-2,4-7H3/b30-28+,34-32+/t39-,41-,43+,45-,46+,47-,48-,49+,50-,51-,52+,53+/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(COC(=O)CCCCCCCCCCCCCCC)[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.
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