(Q105159800)

English

(1S,2R)-3-[(1R,5R,6R)-3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-(3-Carboxy-5,6-dihydroxycyclohex-3-en-1-yl)oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

514.111126144 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₂₂O₁₂

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canonical SMILES

O=C(O)C1=CC(O)C(O)C(OC(=O)C2=CC=3C=C(O)C(O)=CC3C(C4=CC=C(O)C(O)=C4)C2C(=O)O)C1

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isomeric SMILES

O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](OC(=O)C2=Cc3cc(O)c(O)cc3[C@H](c3ccc(O)c(O)c3)[C@H]2C(=O)O)C1

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found in taxon

Pellia epiphylla

1 reference

stated in

Bisbibenzyls and lignans from Pellia epiphylla

Identifiers

InChI

InChI=1S/C25H22O12/c26-14-2-1-9(4-15(14)27)20-12-8-17(29)16(28)5-10(12)3-13(21(20)24(34)35)25(36)37-19-7-11(23(32)33)6-18(30)22(19)31/h1-6,8,18-22,26-31H,7H2,(H,32,33)(H,34,35)/t18-,19-,20+,21+,22-/m1/s1

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InChIKey

LZDRVVOIQKWKHP-LXHROKJGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LZDRVVOIQKWKHP-LXHROKJGSA-N

(Q105159800)

(1S,2R)-3-[(1R,5R,6R)-3-carboxy-5,6-dihydroxycyclohex-3-en-1-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

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Identifiers

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