(Q105344631)

English

3-[(E)-2-[(1R,2S)-1,4-dimethyl-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)cyclohex-3-en-1-yl]ethenyl]-1,4,5-trihydroxyxanthen-9-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[2-[1,4-Dimethyl-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)cyclohex-3-en-1-yl]ethenyl]-1,4,5-trihydroxyxanthen-9-one

1 reference

based on heuristic

inferred from SMILES

mass

620.168247096 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

rel-3-[(1E)-2-[(1R,2R)-1,4-Dimethyl-2-(1,4,5-trihydroxy-9-oxo-9H-xanthen-3-yl)-3-cyclohexen-1-yl]ethenyl]-1,4,5-trihydroxy-9H-xanthen-9-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₂₈O₁₀

0 references

canonical SMILES

O=C1C=2C=CC=C(O)C2OC3=C(O)C(C=CC4(C)CCC(=CC4C5=CC(O)=C6C(=O)C=7C=CC=C(O)C7OC6=C5O)C)=CC(O)=C13

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isomeric SMILES

CC1=C[C@H](c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)[C@@](C)(/C=C/c2cc(O)c3c(=O)c4cccc(O)c4oc3c2O)CC1

0 references

found in taxon

Garcinia livingstonei

1 reference

stated in

Dimeric xanthones from Garcinia livingstonei

Identifiers

InChI

InChI=1S/C36H28O10/c1-16-9-11-36(2,12-10-17-14-24(39)26-29(42)18-5-3-7-22(37)32(18)45-34(26)28(17)41)21(13-16)20-15-25(40)27-30(43)19-6-4-8-23(38)33(19)46-35(27)31(20)44/h3-8,10,12-15,21,37-41,44H,9,11H2,1-2H3/b12-10+/t21-,36-/m1/s1

0 references

InChIKey

XYRCPMXSIHHGSO-SZGHPNGOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XYRCPMXSIHHGSO-SZGHPNGOSA-N

(Q105344631)

3-[(E)-2-[(1R,2S)-1,4-dimethyl-2-(1,4,5-trihydroxy-9-oxoxanthen-3-yl)cyclohex-3-en-1-yl]ethenyl]-1,4,5-trihydroxyxanthen-9-one

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