input word = C00042284

Metabolite InformationStructural formula
Name Bijaponicaxanthone
Formula C36H28O13
Mw 668.15299098
CAS RN 219797-92-9
C_ID C00042284 ,
InChIKey TVTKQGIMDPXDNX-LONTWWBWNA-N
InChICode InChI=1S/C36H28O13/c1-35(2)10-9-13-20(49-35)11-17(38)22-25(40)15-6-8-19(28(43)31(15)47-29(13)22)45-33-24-21(46-34(33)36(3,4)44)12-18(39)23-26(41)14-5-7-16(37)27(42)30(14)48-32(23)24/h5-12,33-34,37-39,42-44H,1-4H3/t33-,34+/m0/s1
SMILES c1(c2c(c3c(c1)O[C@H]([C@H]3Oc1ccc3c(c1O)oc1c(c3=O)c(cc3c1C=CC(O3)(C)C)O)C(C)(C)O)oc1c(c2=O)ccc(c1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum japonicum Ref.
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