input word = C00058815

Metabolite InformationStructural formula
Name Yukomarin
Formula C43H46O8
Mw 690.31926845
CAS RN 210909-87-8
C_ID C00058815
InChIKey DEFSZYOYXZUSJE-UHFFFAOYSA-N
InChICode InChI=1S/C43H46O8/c1-14-39(4,5)28-21-23-33(46)25-20-27(43(12,13)51-37(25)31(41(8,9)16-3)35(23)49-38(28)47)26-19-24-32(45)22-17-18-29(44)48-34(22)30(40(6,7)15-2)36(24)50-42(26,10)11/h14-21,45-46H,1-3H2,4-13H3
SMILES C=C1[C@H]2C[C@@]2(C(C)C)C[C@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus yuko Ref.
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