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 c1c(cc2c(c1O)C(=O)c1c(C2=O)cc(c(c1O)[C@H](c1c(c(c(cc1OC/C=C(\C)/CCC=C(C)C)O)C(=O)c1ccccc1)O)CC(C)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeCratoxylum sumatranum Ref.
zoom in