(Q104195249)

English

2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₂₈H₃₈O₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

582.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₁₃

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canonical SMILES

OC1=C(OC)C=C(C=C1OC)C2C3=C(OC)C(O)=C(OC)C=C3CC(CO)C2COC4OC(CO)C(O)C(O)C4O

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found in taxon

Cordiera sessilis

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stated in

Isolation of lignans glycosides from Alibertia sessilis (Vell.) K. Schum. (Rubiaceae) by preparative high-performance liquid chromatography

Acanthus ilicifolius

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stated in

Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus

stated in

Benzoxazinoid glucosides from Acanthus ilicifolius

Acanthus ebracteatus

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stated in

Phenylethanoid and aliphatic alcohol glycosides from Acanthus ilicifolius

Identifiers

InChI

InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3

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InChIKey

PQQRNPDHSJDAGV-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PQQRNPDHSJDAGV-UHFFFAOYSA-N

ChEBI ID

191569

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3

1 reference

Human Metabolome Database ID

HMDB0038922

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PQQRNPDHSJDAGV-UHFFFAOYSA-N

(Q104195249)

2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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