input word = C00031854

Metabolite InformationStructural formula
Name Hibicusin
(+)-Hibicusin
Formula C48H60O9
Mw 780.42373351
CAS RN 853233-65-5
C_ID C00031854 ,
InChIKey HQBFUVHKMPXOEV-CHQWCDDUNA-N
InChICode InChI=1S/C48H60O9/c1-43(2)23-24-47(42(54)55)25-26-48(29-56-40(52)17-11-31-9-15-35(50)36(51)27-31)33(34(47)28-43)14-16-38-45(5)21-20-39(44(3,4)37(45)19-22-46(38,48)6)57-41(53)18-10-30-7-12-32(49)13-8-30/h7-15,17-18,27,34,37-39,49-51H,16,19-26,28-29H2,1-6H3,(H,54,55)/b17-11+,18-10+/t34-,37-,38+,39-,45-,46+,47-,48-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)COC(=O)/C=C/c1ccc(c(c1)O)O)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)OC(=O)/C=C/c1ccc(cc1)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeHibiscus taiwanensis Ref.
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