input word = C00031164

Metabolite InformationStructural formula
Name Rhusemialin B
(-)-Rhusemialin B
Formula C38H46O16
Mw 758.27858542
CAS RN 946852-23-9
C_ID C00031164 ,
InChIKey VTSGFOLYVXXSBE-NECMDJNBNA-N
InChICode InChI=1S/C38H46O16/c1-47-24-10-18(6-8-23(24)41)7-9-29(42)52-17-28-33(44)34(45)35(46)38(53-28)54-36-27(50-4)14-19-11-21(15-39)22(16-40)30(31(19)37(36)51-5)20-12-25(48-2)32(43)26(13-20)49-3/h6-10,12-14,21-22,28,30,33-35,38-41,43-46H,11,15-17H2,1-5H3/b9-7+/t21-,22-,28+,30+,33+,34-,35+,38-/m0/s1
SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(OC)cc4c(c3OC)[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO)[C@H](CO)C4)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeRhus semialata Ref.
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