input word = C00044666

Metabolite InformationStructural formula
Name Cratoxyarborequinone A
(-)-Cratoxyarborequinone A
Formula C44H46O9
Mw 718.31418307
CAS RN 410095-68-0
C_ID C00044666 ,
InChIKey RVMDRFGVGIPJRT-PCLIKHOPNA-N
InChICode InChI=1S/C44H46O9/c1-23(2)12-11-13-25(5)16-17-53-34-22-32(46)39(40(47)27-14-9-8-10-15-27)44(51)37(34)28(18-24(3)4)36-33(52-7)21-30-38(43(36)50)42(49)35-29(41(30)48)19-26(6)20-31(35)45/h8-10,12,14-16,19-22,24,28,45-46,50-51H,11,13,17-18H2,1-7H3/b25-16+/t28-/m1/s1
SMILES COc1cc2c(c(O)c1C(CC(C)C)c1c(OC/C=C(C)CCC=C(C)C)cc(O)c(C(=O)c3ccccc3)c1O)C(=O)c1c(O)cc(C)cc1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeCratoxylum sumatranum Ref.
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