(Q105140917)

English

[5-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]-(4-hydroxy-3,5-dimethoxyphenyl)methanone

group of stereoisomers with the chemical formula C₂₈H₃₆O₁₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

596.210505832 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₆O₁₄

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canonical SMILES

O=C(C1=CC(OC)=C(O)C(OC)=C1)C2COC(C3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4O)C(OC)=C3)C2CO

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isomeric SMILES

COc1cc(C(=O)C2COC(c3cc(OC)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)C2CO)cc(OC)c1O

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found in taxon

Acanthus ebracteatus

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stated in

Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus

stated in

Megastigmane, aliphatic alcohol and benzoxazinoid glycosides from Acanthus ebracteatus

Magnolia grandiflora

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stated in

A guaianolide from Magnolia grandiflora

Identifiers

InChI

InChI=1S/C28H36O14/c1-36-16-5-12(6-17(37-2)22(16)32)21(31)15-11-40-26(14(15)9-29)13-7-18(38-3)27(19(8-13)39-4)42-28-25(35)24(34)23(33)20(10-30)41-28/h5-8,14-15,20,23-26,28-30,32-35H,9-11H2,1-4H3/t14?,15?,20-,23-,24+,25-,26?,28+/m1/s1

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InChIKey

KGPZPQVOOMBQIF-RANQGIQDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KGPZPQVOOMBQIF-RANQGIQDSA-N

1 reference

(Q105140917)

[5-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-(hydroxymethyl)oxolan-3-yl]-(4-hydroxy-3,5-dimethoxyphenyl)methanone

Statements

Identifiers

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