input word = C00009047

Metabolite InformationStructural formula
Name Xanthorrone
Formula C32H28O7
Mw 524.18350325
CAS RN 11047-73-7
C_ID C00009047 ,
InChIKey SKWHKRQXBCVEKD-RWUIPOGUNA-N
InChICode InChI=1S/C32H28O7/c1-36-20-13-27(37-2)30-21(15-25(38-28(30)14-20)18-9-5-3-6-10-18)29-22(33)16-23(34)31-24(35)17-26(39-32(29)31)19-11-7-4-8-12-19/h3-14,16,21,25-26,33-34H,15,17H2,1-2H3/t21-,25+,26+/m1/s1
SMILES c12c([C@H](C[C@H](O1)c1ccccc1)c1c3c(C(=O)C[C@H](O3)c3ccccc3)c(cc1O)O)c(cc(c2)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeXanthorrhoeaceaeXanthorrhoea preissii Ref.
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OrganismXanthorrhoea preissii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Birch,Aust.J.Chem.,22,(1969),423