(Q104935999)

English

(2R)-1-[2,4-dihydroxy-3,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2-methylbutan-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

1-[2,4-Dihydroxy-3,5-dimethyl-6-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]-2-methylbutan-1-one

1 reference

based on heuristic

inferred from SMILES

mass

546.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₁₃

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canonical SMILES

O=C(C=1C(O)=C(C(O)=C(C1OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C)C)C(C)CC

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isomeric SMILES

CC[C@@H](C)C(=O)c1c(O)c(C)c(O)c(C)c1O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Hypericum japonicum

1 reference

stated in

A new phloroglucinol diglycoside derivative from Hypericum japonicum Thunb

Identifiers

InChI

InChI=1S/C25H38O13/c1-6-8(2)14(26)13-16(28)9(3)15(27)10(4)23(13)38-25-22(34)20(32)18(30)12(37-25)7-35-24-21(33)19(31)17(29)11(5)36-24/h8,11-12,17-22,24-25,27-34H,6-7H2,1-5H3/t8-,11+,12-,17+,18-,19-,20+,21-,22-,24-,25+/m1/s1

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InChIKey

BHJACXRCFCZATN-NUQZBAFYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104935999)

(2R)-1-[2,4-dihydroxy-3,5-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]-2-methylbutan-1-one

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