input word = C00032040

Metabolite InformationStructural formula
Name Myriceric acid C
Formula C48H60O10
Mw 796.41864814
CAS RN 162059-94-1
C_ID C00032040 ,
InChIKey OQOHHYHCCUJBHE-GQHFFOKGNA-N
InChICode InChI=1S/C48H60O10/c1-43(2)21-22-47(42(55)56)23-24-48(28-57-40(53)15-9-29-7-12-33(49)35(51)25-29)31(32(47)27-43)11-14-38-45(5)19-18-39(44(3,4)37(45)17-20-46(38,48)6)58-41(54)16-10-30-8-13-34(50)36(52)26-30/h7-13,15-16,25-26,32,37-39,49-52H,14,17-24,27-28H2,1-6H3,(H,55,56)/b15-9+,16-10+/t32-,37-,38+,39-,45-,46+,47-,48-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1)(C)C)C(=O)O)COC(=O)/C=C/c1cc(c(cc1)O)O)C)C)(C)C)OC(=O)/C=C/c1ccc(c(c1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHibiscus taiwanensis Ref.
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