input word = C00044017

Metabolite InformationStructural formula
Name Xylospyrin
Formula C33H18O9
Mw 558.09508217
CAS RN 29482-55-1
C_ID C00044017 ,
InChIKey RAOLXJUWTDEYTF-UHFFFAOYSA-N
InChICode InChI=1S/C33H18O9/c1-10-4-13-19(16(34)7-10)31(40)25-22(28(13)37)23-26(32(41)20-14(29(23)38)5-11(2)8-17(20)35)27-24(25)30(39)15-6-12(3)9-18(36)21(15)33(27)42/h4-9,34-36H,1-3H3
SMILES c1(cc(c2c(c1)c(=O)c1c(c2=O)c2c(c3c1c(=O)c1c(c3=O)cc(cc1O)C)c(=O)c1c(c2=O)c(cc(c1)C)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros chamaethamnus Ref.
PlantaeEbenaceaeDiospyros chloroxylon Ref.
PlantaeEbenaceaeDiospyros ebenaster Ref.
PlantaeEbenaceaeDiospyros texana Ref.
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OrganismDiospyros chamaethamnus
ReferenceM. Costa et al., Chem. Abs., (1998), 129, 26734.