(Q105375670)

English

(3R,3aR,4Z)-3-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxy-4-(2-oxopropylidene)-3,3a-dihydrofuro[3,4-c]oxepin-1-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

464.11073222 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aR)-3-(3,4-dihydroxyphenyl)-6-[2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxy-4-(2-oxopropylidene)-3,3a-dihydrofuro[3,4-c]oxepin-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₀O₉

0 references

canonical SMILES

O=C1OC(C2=CC=C(O)C(O)=C2)C3C(OC(C=CC4=CC=C(O)C(O)=C4)=CC(O)=C13)=CC(=O)C

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isomeric SMILES

CC(=O)/C=C1\OC(/C=C/c2ccc(O)c(O)c2)=CC(O)=C2C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]21

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found in taxon

Davallia mariesii

1 reference

stated in

Constituents of a fern, Davallia mariesii Moore. I. Isolation and structures of davallialactone and a new flavanone glucuronide.

Davallia trichomanoides

1 reference

stated in

Constituents of a fern, Davallia mariesii Moore. I. Isolation and structures of davallialactone and a new flavanone glucuronide.

Davallia bullata

1 reference

stated in

Constituents of a fern, Davallia mariesii Moore. I. Isolation and structures of davallialactone and a new flavanone glucuronide.

Identifiers

InChI

InChI=1S/C25H20O9/c1-12(26)8-21-23-22(25(32)34-24(23)14-4-7-17(28)19(30)10-14)20(31)11-15(33-21)5-2-13-3-6-16(27)18(29)9-13/h2-11,23-24,27-31H,1H3/b5-2+,21-8-/t23-,24+/m1/s1

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InChIKey

ZHEIBRWXIBOUFZ-KBDCGMLYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZHEIBRWXIBOUFZ-KBDCGMLYSA-N

(Q105375670)

(3R,3aR,4Z)-3-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-8-hydroxy-4-(2-oxopropylidene)-3,3a-dihydrofuro[3,4-c]oxepin-1-one

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Identifiers

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