(Q115946388)

English

(2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

8C-substituted flavan

1 reference

based on heuristic

inferred from SMILES

mass

598.16864102 dalton

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1 reference

1 reference

C₃₀H₃₀O₁₃

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canonical SMILES

O=C1OC2=CC(O)=C3C(OC(C4=CC=C(O)C(O)=C4)C(OC5OC(C)C(O)C(O)C5O)C3)=C2C(C6=CC=C(O)C(O)=C6)C1

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@@H]2Cc3c(O)cc4c(c3O[C@@H]2c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)CC(=O)O4)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Sarcandra glabra

1 reference

stated in

Chemical profiling of bioactive constituents in Sarcandra glabra and its preparations using ultra-high-pressure liquid chromatography coupled with LTQ Orbitrap mass spectrometry

Identifiers

InChI

InChI=1S/C30H30O13/c1-11-25(37)26(38)27(39)30(40-11)42-22-8-15-18(33)10-21-24(29(15)43-28(22)13-3-5-17(32)20(35)7-13)14(9-23(36)41-21)12-2-4-16(31)19(34)6-12/h2-7,10-11,14,22,25-28,30-35,37-39H,8-9H2,1H3/t11-,14+,22+,25-,26+,27+,28+,30-/m0/s1

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InChIKey

OKKMHZTVGJIQAP-BPOVIMKDSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

OKKMHZTVGJIQAP-BPOVIMKDSA-N

1 reference

(Q115946388)

(2R,3R,10R)-2,10-bis(3,4-dihydroxyphenyl)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3,4,9,10-tetrahydro-2H-pyrano[2,3-f]chromen-8-one

Statements

Identifiers

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