input word = C00047820

Metabolite InformationStructural formula
Name Cratoxyxanthone
Formula C48H50O13
Mw 834.32514168
CAS RN 164672-51-9
C_ID C00047820 ,
InChIKey TXRIJCKIVJGAAY-UHFFFAOYNA-N
InChICode InChI=1S/C48H50O13/c1-20(2)11-14-23-32-28(17-26(49)44(23)57-9)59-31-19-30-34(43(55)35(31)41(32)53)36(47(61-30)48(7,8)56)37-39(51)25(16-13-22(5)6)40(52)38-42(54)33-24(15-12-21(3)4)45(58-10)27(50)18-29(33)60-46(37)38/h11-13,17-19,36,47,49-52,55-56H,14-16H2,1-10H3/t36-,47+/m1/s1
SMILES c12c(c(c3c(c1)O[C@@H]([C@H]3c1c(c(c(c3c1oc1c(c3=O)c(c(c(c1)O)OC)CC=C(C)C)O)CC=C(C)C)O)C(C)(O)C)O)c(=O)c1c(o2)cc(c(c1CC=C(C)C)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia mangostana Ref.
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